490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	2:2:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C[5]-3:C-4:	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN)	N(C[5]N[5]2)(CC[6a]HH)	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N(C[5]N[5]2)(CC[6a]HH)	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	112.0030	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-2:	C(C[6a]C[6a]N[6a])(NN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(NC)	C(C[6a]C[6a]N[6a])(NN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NC)	132.0170	0.000	1	132.0170	0.000	1	132.0170	0.000	1	132.0170	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	110.4660	0.829	2	110.4660	0.687	2	111.2932	3.438	11	111.2932	3.438	11	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	111.2757	1.568	6	111.2757	2.460	6	111.2932	3.438	11	111.2932	3.438	11	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)	110.1780	1.270	2	110.1780	1.613	2	111.2932	3.438	11	111.2932	3.438	11	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(CNO)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CNO)	115.2830	0.000	1	115.2830	0.000	1	111.2932	3.438	11	111.2932	3.438	11	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:2:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:P-4:	C(C[6a]C[6a]N[6a])(NP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	N(CC[6a]HH)(PC[6a]3)	C(C[6a]C[6a]N[6a])(NP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(PC[6a]3)	111.8940	1.536	2	111.8940	2.359	2	111.8940	2.359	2	111.8940	2.359	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]C[5])(CC[6a]HH)	110.5110	3.991	2	110.5110	15.927	2	110.5110	15.927	2	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C-4:	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5,6]C[3x5,6]N[5,6])(CC[6a]HH)	111.3470	0.110	2	111.3470	0.012	2	111.3470	0.012	2	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[5]C[5,6a]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(CC[6a]HH)	113.0680	0.000	1	113.0680	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[5]N[5,6]N[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5]N[5,6]N[5])(CC[6a]HH)	115.3870	0.000	1	115.3870	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(CC[6a]HH)	114.8070	0.000	1	114.8070	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]O[5])(CC[6a]HH)	112.3680	0.000	1	112.3680	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]S[5])(CC[6a]HH)	112.4370	0.000	1	112.4370	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(CC[6a]HH)	112.4160	0.000	1	112.4160	0.000	1	113.4138	1.800	6	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	113.8950	0.000	1	113.8950	0.000	1	114.1230	0.104	2	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(C[5a]N[5a]S[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]HH)	114.3510	0.000	1	114.3510	0.000	1	114.1230	0.104	2	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C-4:	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(C[6,6]C[6,6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(C[6,6]C[6,6]2)(CC[6a]HH)	111.4300	0.000	1	111.4300	0.000	1	111.4300	0.000	1	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6,6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]O[6])(CC[6a]HH)	111.8090	0.000	1	111.8090	0.000	1	111.9810	1.503	4	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)	113.7640	0.000	1	113.7640	0.000	1	111.9810	1.503	4	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]N[5a,6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]N[5a,6]S[6])(CC[6a]HH)	111.2160	0.000	1	111.2160	0.000	1	111.9810	1.503	4	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6]N[6]S[6])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6]N[6]S[6])(CC[6a]HH)	111.1350	0.000	1	111.1350	0.000	1	111.9810	1.503	4	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)	111.8930	0.000	1	111.8930	0.000	1	112.9155	3.767	11	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	109.7850	0.000	1	109.7850	0.000	1	112.9155	3.767	11	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)	113.4458	1.965	6	113.4458	3.859	6	112.9155	3.767	11	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)	113.2390	1.663	3	113.2390	2.765	3	112.9155	3.767	11	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	Si[5]-3:C-4:	C(C[6a]C[6a]2)(NSi[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(Si[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(NSi[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(Si[5]C[5]2)(CC[6a]HH)	114.0260	0.000	1	114.0260	0.000	1	114.0260	0.000	1	112.6860	3.340	29	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-1:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(C)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(C)	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	111.8410	5.876	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(NH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(H)	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	111.8410	5.876	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a,6a]2)(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN)	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]2)(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN){5|C<3>}	N(CC[6a]HH)(NN)	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(NN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(CC[6a]HH)(NN)	110.1060	0.263	2	110.1060	0.069	2	110.1060	0.069	2	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CN)	113.0090	0.000	1	113.0090	0.000	1	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6])	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6])	114.1630	0.000	1	114.1630	0.000	1	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CFe)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CFe)	110.0730	0.000	1	110.0730	0.000	1	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CMo)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CMo)	112.2793	0.427	4	112.2793	0.183	4	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNi)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNi)	112.8980	0.000	1	112.8980	0.000	1	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(COs)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(COs)	113.9578	1.980	6	113.9578	3.920	6	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CPt)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CPt)	113.5070	1.612	3	113.5070	2.600	3	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CRu)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CRu)	112.6210	0.241	3	112.6210	0.058	3	113.0696	2.320	20	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(NN)	C(C[6a]C[6a]2)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(NN)	111.6663	1.401	4	111.6663	1.963	4	111.6663	1.963	4	112.5791	2.765	27	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CC[6a]O)	111.9060	0.774	2	111.9060	0.598	2	111.9060	0.598	2	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]C)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	N(CC[6a]HH)(CCN)	109.1180	0.076	2	109.1180	0.006	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]HH)(CC[6a]H)	111.5530	0.194	2	111.5530	0.038	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CNN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNN)	109.9820	0.000	1	109.9820	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CCC)	112.1971	0.962	7	112.1971	0.924	7	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[5a]H)	111.0280	0.409	2	111.0280	0.167	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]H)	118.0990	4.819	6	118.0990	23.221	6	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]O)	110.0027	2.461	3	110.0027	6.056	3	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CNS)	109.8540	0.000	1	109.8540	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)	112.0560	0.000	2	112.0560	0.000	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	112.0300	0.000	1	112.0300	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CC[5a]H)	109.6910	1.498	3	109.6910	2.244	3	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	N(CC[6a]HH)(CC[6a]H)	109.8300	0.000	1	109.8300	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCH)	109.9410	0.000	1	109.9410	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	108.5295	1.015	2	108.5295	1.030	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	111.3086	1.277	5	111.3086	1.632	5	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)(CC[6a]H)	111.1420	0.000	1	131.4905	828.123	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	151.8390	0.000	1	131.4905	828.123	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	109.8680	0.000	1	109.8680	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[5]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5]H)	110.3125	0.194	2	110.3125	0.038	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[5a]O)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[5a]O)	113.9570	0.000	1	113.9570	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	110.2390	0.156	2	110.2390	0.024	2	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCC)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCC)	114.4980	0.000	1	114.4980	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCO)	113.7233	1.772	3	113.4048	1.775	5	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]HH)(CCO)	112.9270	0.249	2	113.4048	1.775	5	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCS)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCS)	114.6750	0.000	1	114.6750	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]H)	111.8453	0.784	3	111.8453	0.615	3	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5]O)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5]O)	113.9800	0.000	1	113.9800	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]2)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]2)	109.8100	0.000	1	109.8100	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[5a]H)	112.5425	0.907	2	112.4472	0.288	4	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]H)	112.3520	0.065	2	112.4472	0.288	4	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[5a]S)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[5a]S)	112.5610	0.000	1	112.5610	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6]S)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6]S)	110.9380	1.354	4	110.9380	1.833	4	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]C)	111.1253	1.933	3	111.1253	3.735	3	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)(CC[6a]H)	108.8080	0.000	1	111.1825	3.287	31	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]HH)(CC[6a]H)	115.8690	0.000	1	111.1825	3.287	31	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]H)	110.8386	1.153	26	111.1825	3.287	31	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	N(CC[6a]HH)(CC[6a]H)	113.3923	3.166	3	111.1825	3.287	31	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CC[6a]O)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CC[6a]O)	112.7765	1.492	6	112.7765	2.225	6	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CNS)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CNS)	115.3610	0.000	1	115.3610	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:3:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CN[5a]C)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CN[5a]C)	111.4550	0.000	1	111.4550	0.000	1	112.1713	20.855	110	112.1666	20.303	113	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	N(CC[6a]HH)(CCHH)	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	N(CC[6a]HH)2	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	N(CC[6a]HH)2	112.1303	1.135	6	112.1303	1.288	6	112.5677	1.723	15	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)	115.1930	0.000	1	115.1930	0.000	1	112.5677	1.723	15	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)	113.0870	0.000	1	113.0870	0.000	1	112.5677	1.723	15	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(CCHH)	112.0950	0.000	1	112.0950	0.000	1	112.5677	1.723	15	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)2	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HH)2	112.5597	1.353	6	112.5597	1.830	6	112.5677	1.723	15	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(NP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(NP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PNOO)	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(NS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	N(CC[6a]HH)(SC[6a]OO)	113.1780	0.000	1	113.1780	0.000	1	113.1780	0.000	1	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	N(C[5]C[5]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	N(C[5]C[5]2H)(CC[6a]HH)	110.9210	0.243	2	110.9210	0.059	2	110.9210	0.059	2	112.5349	2.029	20	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(NN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHNN)	N(CC[6a]HN)(NN)	C(C[6a]C[6a]2)(NN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHNN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]HN)(NN)	110.0040	1.800	4	110.0040	3.240	4	110.0040	3.240	4	110.0040	3.240	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHNN)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHNN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CC[6a]H)	108.7485	0.996	2	108.7485	0.993	2	108.9955	0.690	4	108.9955	0.690	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:2:1:	3:3:4:	4:3:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	N(CC[6a]HN)(CC[6a]H)	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	N(CC[6a]HN)(CC[6a]H)	109.2425	0.913	2	109.2425	0.833	2	108.9955	0.690	4	108.9955	0.690	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:C-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	110.9535	12.207	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(N[6]C[6]2)(CC[6a]CH)	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	110.9535	12.207	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	113.4928	1.077	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5a]N[5a]S[5a])(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(CC[6a]CH)	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	113.4928	1.077	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	114.0640	0.000	1	114.0640	0.000	1	114.3185	0.130	2	113.4928	1.077	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	3:4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	114.5730	0.000	1	114.5730	0.000	1	114.3185	0.130	2	113.4928	1.077	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5]2Fe)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(CC[6a]CH)	111.6170	0.000	1	111.6170	0.000	1	111.6170	0.000	1	111.5590	0.007	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:1:	3:3:4:	4:4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	P[6]-4:C-4:	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(P[6]O[6]2S)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(P[6]O[6]2S)(CC[6a]CH)	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5590	0.007	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:2:4:3:	3:3:4:	3:4:	C[6a]-3:N-2:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C[6a](C[6a]C[6a]H)2(CCCN)	N(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:2:	C[5a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	N(CC[5a]C[6a]H)(NN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(NN)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	110.5193	1.375	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	110.5193	1.375	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CS)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CS)	110.5327	0.742	4	110.5327	0.551	4	110.5327	0.551	4	110.5193	1.375	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCC)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCC)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	112.9080	0.000	1	112.9080	0.000	1	110.6710	0.751	24	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5a]H)	112.0110	0.000	1	112.0110	0.000	1	110.6710	0.751	24	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	110.5084	0.686	22	110.5084	0.471	22	110.6710	0.751	24	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]H)	109.9760	0.000	1	109.9760	0.000	1	109.9760	0.000	1	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]H)	108.2280	0.000	1	108.2280	0.000	1	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	N(CC[6a]2H)(CC[6a]H)	107.1840	0.000	1	107.1840	0.000	1	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCH)	110.5515	0.293	2	110.5515	0.086	2	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	N(CC[6a]2H)(CC[6a]N)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]N)	111.1235	0.021	2	111.1235	0.000	2	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CCH)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CCH)	109.4826	1.508	10	109.4826	2.274	10	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[5]O)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[5]O)	110.8965	2.126	2	110.8965	4.521	2	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]2)	109.0567	1.090	6	109.0567	1.188	6	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(CC[6a]H)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(CC[6a]H)	109.5902	1.790	9	109.5902	3.203	9	109.5768	2.377	33	110.0364	1.929	58	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)2	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)2	112.5570	0.000	1	112.5570	0.000	1	112.5570	0.000	1	109.8964	4.511	8	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]2O)	C(C[6a]C[6a]2)(CCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]2O)	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	109.8964	4.511	8	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(CC[6a]2H)(SC[6a]2O)	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(CC[6a]2H)(SC[6a]2O)	109.1035	3.702	2	109.1035	13.703	2	109.1035	13.703	2	109.8964	4.511	8	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	S[5]-4:C-4:	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	N(S[5]C[5,6a]2O)(CC[6a]2H)	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	N(S[5]C[5,6a]2O)(CC[6a]2H)	109.0923	0.888	4	109.0923	0.789	4	109.0923	0.789	4	109.8964	4.511	8	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:2:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])3(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]N[6a])3(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]H)	108.9948	2.715	6	108.9948	7.372	6	108.9948	7.372	6	108.9948	7.372	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)3(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NH)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(H)	108.7517	0.883	3	108.7517	0.780	3	108.7517	0.780	3	108.7517	0.780	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[5]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(CC[5]2N)	N(CC[6a]C[5]2)(C[6a]C[6a]2)	C(C[6a]C[6a]2)(C[5]N[5]2)2(NC[6a])	C[6a](C[6a]C[6a]F)2(CC[5]2N){1|C<3>,2|F<1>}	N(CC[6a]C[5]2)(C[6a]C[6a]2)	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	108.6480	13.781	30	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)2(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CC[5]H)	C(C[6a]C[6a]2)2(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC[5]H)	107.7895	2.391	2	107.7895	5.716	2	107.7895	5.716	2	108.6480	13.781	30	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[5a]H)	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[5a]H)	108.2840	2.101	6	108.2840	4.414	6	108.5900	14.677	27	108.6480	13.781	30	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[6]H)	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6]H)	108.4268	3.511	6	108.4268	12.330	6	108.5900	14.677	27	108.6480	13.781	30	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(CC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]3)(CC[6a]H)	108.7777	4.603	15	108.7777	21.188	15	108.5900	14.677	27	108.6480	13.781	30	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	P[6,6]-4:C-4:	C(C[6a]C[6a]2)3(NP[6,6])	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(P[6,6]P[6,6]C[6]2)(CC[6a]3)	C(C[6a]C[6a]2)3(NP[6,6])	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(P[6,6]P[6,6]C[6]2)(CC[6a]3)	109.7137	1.380	3	109.7137	1.903	3	109.7137	1.903	3	109.2453	3.249	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	S-4:C-4:	C(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]2N)	N(SC[6a]2O)(CC[6a]3)	C(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]2N){1|C<3>,2|H<1>}	N(SC[6a]2O)(CC[6a]3)	108.7770	2.358	3	108.7770	5.562	3	108.7770	5.562	3	109.2453	3.249	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CS)	C(C[6a]C[6a]2)2(CCHH)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CS)	108.0720	0.528	2	108.0720	0.278	2	107.2340	1.304	4	107.2340	1.304	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN)	N(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]CN){1|C<3>,2|H<1>}	N(CC[6a]2C)(CC)	106.3960	0.908	2	106.3960	0.824	2	107.2340	1.304	4	107.2340	1.304	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	4:3:	C[5a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]CN)	N(CC[5a]C[6a]C)(COO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]CN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[5a]C[6a]C)(COO)	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.0057	0.266	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CC[6a]O)	110.1910	0.000	1	110.1910	0.000	1	109.8070	0.295	2	110.0057	0.266	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(COO)	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(COO)	109.4230	0.000	1	109.4230	0.000	1	109.8070	0.295	2	110.0057	0.266	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:2:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[5]C[5,6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(CC[6a]CH)	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	113.5150	0.011	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	3:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	113.5150	0.011	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CO)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CO)	110.9020	0.000	1	110.9020	0.000	1	110.4997	0.375	3	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CRu)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CRu)	110.2985	0.712	2	110.2985	0.507	2	110.4997	0.375	3	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	112.2340	0.000	1	112.2340	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	109.9950	1.102	2	109.9950	1.214	2	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(NN)	112.3470	0.156	2	112.3470	0.024	2	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	108.5030	0.000	1	108.5030	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	110.9763	2.481	3	110.9763	6.153	3	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	112.2530	0.000	1	112.2530	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NC[6a])	108.8180	0.000	1	108.8180	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NC[6a])	108.2680	0.000	1	108.2680	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NMo)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NMo)	111.4850	0.000	1	111.4850	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	109.2950	0.000	1	109.2950	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NN)	109.0520	0.000	1	109.0520	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CH3)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NC)	105.1910	0.000	1	105.1910	0.000	1	110.1695	4.693	16	110.2216	3.968	19	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[5]O)	112.8030	0.000	1	112.8030	0.000	1	110.5391	4.117	12	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[5a]H)	107.3755	0.459	2	107.3755	0.211	2	110.5391	4.117	12	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]H)	111.0665	0.992	6	111.0665	0.984	6	110.5391	4.117	12	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)	112.3140	0.116	2	110.8387	6.537	3	110.5391	4.117	12	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(CC[6a]O)	107.8880	0.000	1	110.8387	6.537	3	110.5391	4.117	12	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	114.2140	0.000	1	114.2140	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	112.4550	0.000	1	112.4550	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)	112.4990	0.000	1	112.4990	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CNS)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CNS)	110.8600	0.000	1	110.8600	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	111.6780	0.000	1	110.6710	2.028	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]H)	109.6640	0.000	1	110.6710	2.028	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(COO)	113.0120	0.000	1	113.0120	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)	113.7340	0.216	2	113.7340	0.047	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]2)	110.8780	0.000	1	110.8780	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]C)	109.7897	0.959	4	109.7897	0.920	4	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CC[6,6]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6,6]H)	109.8355	0.508	6	109.8355	0.258	6	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	108.9487	1.875	3	108.9487	3.514	3	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]2)	113.0960	0.204	2	113.0960	0.041	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	110.9756	1.380	11	110.9756	1.905	11	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)	112.0180	0.000	1	112.0180	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)(CC[6a]2)	109.5650	0.000	1	109.5650	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	111.7113	0.888	7	111.7113	0.789	7	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	113.9660	0.000	1	113.9660	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	N(CC[6a]CH)(CC[6a]O)	111.2520	1.619	2	111.2520	2.622	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCC)	112.8180	0.000	1	112.8180	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCN)	112.2230	0.000	1	112.2230	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCO)	111.7366	1.724	5	111.7366	2.973	5	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[3]O)	112.3950	0.000	1	112.3950	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[3x4]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[3x4]O)	111.8395	0.842	2	111.8395	0.709	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[4]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[4]H)	107.3800	0.000	1	107.3800	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5]H)	110.7520	0.000	1	110.7520	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[5a]H)	109.4485	1.802	8	109.4485	3.247	8	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6]H)	110.3195	0.025	2	110.3195	0.001	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]H)	108.4264	1.141	25	108.4264	1.303	25	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]O)	111.1345	0.228	2	111.1345	0.052	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	111.9315	0.257	2	111.9315	0.066	2	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCH)	110.6220	0.000	1	110.6220	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(COO)	112.6260	0.000	1	112.6260	0.000	1	110.3851	3.674	101	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)	110.0610	0.000	1	110.0610	0.000	1	111.6595	5.110	2	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCO)	113.2580	0.000	1	113.2580	0.000	1	111.6595	5.110	2	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(SCO)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(SCO)	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.4247	3.662	116	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	N(CC[6a]CH)(PC[6a]2O)	112.1925	4.471	2	112.1925	19.990	2	112.1925	19.990	2	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[5,5,6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[5,5,6]HH)(CC[6a]CH)	119.0390	0.000	1	119.0390	0.000	1	112.7608	14.503	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CCCH)	111.1050	0.000	1	111.1050	0.000	1	112.7608	14.503	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	N(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]CH)2	113.2410	0.000	1	113.2410	0.000	1	112.7608	14.503	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CH3)	111.3510	0.000	1	111.3510	0.000	1	112.7608	14.503	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(CC[6a]HH)	109.0680	0.000	1	109.0680	0.000	1	112.7608	14.503	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)	114.7340	0.000	1	114.7340	0.000	1	114.2446	0.130	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PC[6a]2N)	C(C[6a]C[6a]2)(CH3)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2N)	114.1222	0.271	4	114.1222	0.073	4	114.2446	0.130	5	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SNOO)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SNOO)	113.9090	0.000	1	113.9090	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SO3)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SO3)	109.9010	0.000	1	109.9010	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)	113.1730	0.000	1	113.1730	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)	114.0900	0.000	1	114.0900	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)	112.4670	0.000	1	112.4670	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)	110.9270	0.115	2	110.9270	0.013	2	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SCOO)	110.2500	0.816	2	110.2500	0.666	2	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(SC[6a]OO)	110.9520	0.000	1	110.9520	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]CH)(SCOO)	114.0050	0.000	1	114.0050	0.000	1	111.8955	2.812	11	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	P-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	N(PC[6a]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	N(PC[6a]C[6]O)(CC[6a]CH)	111.4305	0.101	2	111.4305	0.010	2	111.4305	0.010	2	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6a]-3:P-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	N(CC[6a]HP)(CC[6]HH)	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	N(CC[6a]HP)(CC[6]HH)	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	112.7551	6.524	26	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-1:	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(C)	109.5740	0.276	2	109.5740	0.076	2	109.4890	0.060	3	109.3185	0.156	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-1:	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(C)	109.3190	0.000	1	109.3190	0.000	1	109.4890	0.060	3	109.3185	0.156	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]CN)	N(CC[6a]C[5]C)(C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]CN){1|C<3>,2|H<1>}	N(CC[6a]C[5]C)(C)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	109.3185	0.156	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:2:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS)	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS){1|C<3>,2|H<1>}	N(CC[6a]CS)(NC[6a])	110.1410	0.000	1	110.1410	0.000	1	110.4373	0.180	3	110.4373	0.180	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:3:2:	3:3:4:	4:2:	C[6a]-3:S-4:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS)	N(CC[6a]CS)(NC[6a])	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCNS){1|C<3>,2|H<1>}	N(CC[6a]CS)(NC[6a])	110.5855	0.477	2	110.5855	0.228	2	110.4373	0.180	3	110.4373	0.180	3	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(NN)	107.6617	0.238	3	107.6617	0.057	3	107.5652	0.075	4	107.5652	0.075	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CH3)2(NN)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(NC)	C(C[6a]C[6a]2)(CH3)2(NN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(NC)	107.2760	0.000	1	107.2760	0.000	1	107.5652	0.075	4	107.5652	0.075	4	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	N(CC[6a]CC)(CCO)	108.9030	0.000	1	108.9030	0.000	1	108.4388	2.733	22	108.4388	2.733	22	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)2(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CC[6a]H)	108.2947	1.637	20	108.2947	2.680	20	108.4388	2.733	22	108.4388	2.733	22	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(NC)	C[6a](C[6a]C[6a]H)2(CCCN)	N(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CH3)2(NC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]CC)(CNO)	110.8570	0.000	1	110.8570	0.000	1	108.4388	2.733	22	108.4388	2.733	22	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C-4:P-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C[6a](C[6a]C[6a]H)2(CCNP)	N(CC[6a]CP)(SC[6a]OO)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	N(CC[6a]CP)(SC[6a]OO)	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	111.9370	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(H)	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:2:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CS)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CS)	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	110.8030	5.220	5	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:2:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(NN)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(NN)	108.7950	0.512	2	108.7950	0.262	2	108.7950	0.262	2	110.8030	5.220	5	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:2:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(NN)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(NN)	110.0520	0.000	1	110.0520	0.000	1	111.8990	6.823	2	110.8030	5.220	5	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:2:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(NN)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(NN)	113.7460	0.000	1	113.7460	0.000	1	111.8990	6.823	2	110.8030	5.220	5	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(CC[6a]2)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(CC[6a]2)	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	112.3168	11.040	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SCO)	116.3930	0.000	1	116.3930	0.000	1	115.0990	1.326	3	112.3168	11.040	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-3:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN)	N(CC[6a]C[5]H)(SCO)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN){1|C<3>,2|F<1>}	N(CC[6a]C[5]H)(SCO)	114.4520	0.373	2	114.4520	0.139	2	115.0990	1.326	3	112.3168	11.040	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:3:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	N(CC[6,6]C[6a]H)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(CC[6a]H)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	112.3168	11.040	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:3:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	N(CC[6a]C[6]H)(CC[6a]2)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(CC[6a]2)	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	112.3168	11.040	6	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:4:	C-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	N(CC[6a]CH)(PN3)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PN3)	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	111.8845	7.531	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:2:1:	3:3:4:	4:4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	N(CC[6a]C[5]H)(SCOO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(SCOO)	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	111.8845	7.531	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-1:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]CN)	N(CC[6a]C[5]C)(C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(CC[5]CN){1|C<3>,2|H<1>}	N(CC[6a]C[5]C)(C)	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C-4:C[6a]-3:C[6a]-3:	C-4:P-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2	N(CC[6a]2C[5])(PN3)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	C[6a](CC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[6a]2C[5])(PN3)	109.4120	1.797	2	109.4120	3.231	2	109.4120	3.231	2	109.4120	3.231	2	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	4:3:4:2:	3:3:4:	4:4:	C[3]-4:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-4:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C[6a](C[6a]C[6a]H)2(CC[3]CN)	N(CC[6a]C[3]C)(PC[6a]2O)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C[6a](C[6a]C[6a]H)2(CC[3]CN){1|C<3>,2|H<1>}	N(CC[6a]C[3]C)(PC[6a]2O)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	941	0:SP3_SP2_SP2	C	C[6a]	N	6:3:2:1:	4:3:3:	4:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(C[6]C[6]2)	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	110.9872	9.811	565	110.9872	9.811	565
490	643	943	0:SP3_SP-NON_SP2	C	C[6a]	Ga[6]	4:3:2:1:	3:3:4:	3:3:3:4:	Ga[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:N[6]-3:C[6a]-3:C-4:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO){1|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1	117.3800	0.000	1
490	643	944	0:SP3_SP-NON_SP2	C	C[6a]	I	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHI)	I(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHI){1|C<3>,2|H<1>}	I(CC[6a]HH)	112.1510	0.000	1	112.1510	0.000	1	110.7484	2.225	5	110.7484	2.225	5	110.3814	2.074	7	110.3814	2.074	7
490	643	944	0:SP3_SP-NON_SP2	C	C[6a]	I	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)2(CHHI)	I(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)2(CHHI){1|C<3>,2|C<4>}	I(CC[6a]HH)	108.3720	0.000	1	108.3720	0.000	1	110.7484	2.225	5	110.7484	2.225	5	110.3814	2.074	7	110.3814	2.074	7
490	643	944	0:SP3_SP-NON_SP2	C	C[6a]	I	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI)	I(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI){1|C<3>,1|C<4>,1|H<1>}	I(CC[6a]HH)	110.8515	0.821	2	111.0730	0.484	3	110.7484	2.225	5	110.7484	2.225	5	110.3814	2.074	7	110.3814	2.074	7
490	643	944	0:SP3_SP-NON_SP2	C	C[6a]	I	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI)	I(CC[6a]HH)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI){1|C<3>,2|H<1>}	I(CC[6a]HH)	111.5160	0.000	1	111.0730	0.484	3	110.7484	2.225	5	110.7484	2.225	5	110.3814	2.074	7	110.3814	2.074	7
490	643	944	0:SP3_SP-NON_SP2	C	C[6a]	I	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[6a](C[6a]C[6a]H)2(CC[5]HI)	I(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[6a](C[6a]C[6a]H)2(CC[5]HI){1|C<3>,2|H<1>}	I(CC[6a]C[5]H)	109.4640	1.090	2	109.4640	1.189	2	109.4640	1.189	2	109.4640	1.189	2	110.3814	2.074	7	110.3814	2.074	7
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:2:4:	3:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)2	112.0740	0.255	2	112.0740	0.065	2	112.0740	0.065	2	112.0740	0.065	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:2:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(PCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(PCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)3	112.4900	3.935	3	112.4900	15.487	3	112.4900	15.487	3	112.4900	15.487	3	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CC[6a]HH)	112.3328	1.148	4	112.3328	1.318	4	112.3328	1.318	4	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CC[6a]HH)	113.3485	1.251	2	113.3485	1.565	2	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)	110.1700	0.000	1	110.1700	0.000	1	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)	111.4575	1.237	2	111.4575	1.530	2	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)	111.2565	1.860	2	111.2565	3.461	2	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|H<1>,1|S<2>}	P(C[6a]C[6a]2)2(CC[6a]HH)	110.8310	0.000	1	110.8310	0.000	1	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)	111.4990	0.000	1	111.4990	0.000	1	111.6250	1.948	9	111.8428	1.744	13	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(H)	116.2080	0.000	1	116.2080	0.000	1	116.1670	0.003	2	116.1670	0.003	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,1|I<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(H)	116.1260	0.000	1	116.1260	0.000	1	116.1670	0.003	2	116.1670	0.003	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHP){1|H<1>,6|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)2	111.5185	3.514	2	111.5185	12.345	2	110.9460	4.660	4	110.9460	4.660	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	109.9720	0.000	1	109.9720	0.000	1	110.9460	4.660	4	110.9460	4.660	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	3:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	110.7750	0.000	1	110.7750	0.000	1	110.9460	4.660	4	110.9460	4.660	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CCCH)2	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	P(CC[6a]HH)(CCCH)2	115.8040	0.000	1	115.8040	0.000	1	115.8040	0.000	1	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	P(CC[6a]HH)(CC3)2	115.8955	0.395	2	115.8955	0.156	2	115.8955	0.156	2	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CBCC)(CC3)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP){1|C<3>,2|C<4>,2|H<1>}	P(CC[6a]HH)(CBCC)(CC3)	105.5000	0.000	1	105.5000	0.000	1	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CC3)2	117.7210	0.000	1	117.7210	0.000	1	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CC3)2	116.6600	1.130	2	116.6600	1.277	2	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	P(CC[6a]HH)3	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3	108.8850	1.198	3	108.8850	1.436	3	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP)	P(CC[6a]HH)3	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3	108.5423	0.438	3	108.5423	0.192	3	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(CHHN)2	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CHHN)2	113.2600	0.000	1	113.2600	0.000	1	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:1:1:	3:3:4:	4:4:4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)3	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3	112.8632	0.558	5	112.8632	0.312	5	111.6499	12.835	16	112.3155	13.198	19	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:2:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:O-2:P-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP)	P(CC[6a]2O)(CC3)2	C(C[6a]C[6a]2)2(OB[5])(PCC)	C[6a](C[6a]C[6a]H)2(CC[6a]OP){1|C<3>,2|H<1>}	P(CC[6a]2O)(CC3)2	107.4980	1.708	2	107.4980	2.919	2	107.4980	2.919	2	107.4980	2.919	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:1:	3:2:4:	4:4:4:	C[6a]-3:P-3:P-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:	C(C[6a]C[6a]N[6a])(PCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	P(CC[6a]HP)(CCCH)2	C(C[6a]C[6a]N[6a])(PCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HP)(CCCH)2	114.1035	1.132	2	114.1035	1.282	2	114.1035	1.282	2	114.1035	1.282	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	109.0415	1.224	2	109.0415	1.498	2	109.0415	1.498	2	108.5443	3.390	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)	108.0470	2.772	2	108.0470	7.683	2	108.0470	7.683	2	108.5443	3.390	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	109.1887	3.702	4	109.1887	13.707	4	109.1887	13.707	4	109.1887	13.707	4	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:P-3:P-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(COPP)	P(C[6a]C[6a]2)2(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(COPP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]OP)	112.9500	3.227	2	112.9500	10.415	2	112.9500	10.415	2	112.9500	10.415	2	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:H-1:	C(C[6a]C[6a]2)3(PC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	P(C[5]N[5]2)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(PC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	P(C[5]N[5]2)(CC[6a]3)(H)	108.0994	10.769	3	108.0994	115.974	3	108.0994	115.974	3	108.0994	115.974	3	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)	115.1810	0.448	2	115.1810	0.201	2	111.4052	12.830	5	111.4052	12.830	5	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)	108.8880	1.341	3	108.8880	1.798	3	111.4052	12.830	5	111.4052	12.830	5	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:4:4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:4:4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C[6a](C[6a]C[6a]C)2(CCHP)	P(C[6]C[6]2H)2(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C[6a](C[6a]C[6a]C)2(CCHP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)2(CC[6a]CH)	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	111.4853	13.102	68	111.4853	13.102	68
490	643	945	0:SP3_SP2_SP3	C	C[6a]	P	4:3:3:1:	3:3:4:	4:3:3:	C[5]-4:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP)	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP){1|C<3>,2|H<1>}	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	111.4853	13.102	68	111.4853	13.102	68
490	643	950	0:SP3_SP2_SPD5	C	C[6a]	P	3:5:1:1:	3:2:4:	3:3:4:1:1:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:F-1:F-1:	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(F)2	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(F)2	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	2:3:1:1:	3:3:4:	4:	S-2:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(SC[3x3,4,3x5,14x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	110.7325	0.054	2	110.7325	0.003	2	110.7325	0.003	2	110.7325	0.003	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4710	0.271	3	109.4704	0.025	7	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4695	0.015	2	109.4704	0.025	7	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4705	0.006	2	109.4704	0.025	7	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4923	0.038	6	109.4923	0.001	6	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])2(CH3){3|C<3>}	H(CC[6a]HH)	109.5037	0.021	3	109.5037	0.000	3	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4568	0.034	6	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4746	0.029	26	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4798	0.680	12	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4639	0.024	10	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.9520	1.608	11	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4833	0.036	3	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	H(CC[6a]HH)	109.3015	2.825	6	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.5002	0.029	5	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	H(CC[6a]HH)	109.4290	0.024	2	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4756	0.027	12	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4645	0.041	21	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(CH3){3|C<3>}	H(CC[6a]HH)	109.4797	0.023	3	109.5083	0.634	117	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]N[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]N[6a])2(CH3){1|C<3>}	H(CC[6a]HH)	109.6478	0.262	5	109.6478	0.069	5	109.5106	0.541	138	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:O[6a]-2:C-4:	C-4:	C(C[6a]N[6a]O[6a])(H)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]O[6a])(H)3	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.0592	1.825	6	109.0592	3.332	6	109.0592	3.332	6	109.4918	0.643	144	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]Br2)	108.1650	0.000	1	108.1650	0.000	1	108.1690	0.333	3	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CBr2H){1|H<1>,2|C<3>}	H(CC[6a]Br2)	107.5940	0.000	1	107.5940	0.000	1	108.1690	0.333	3	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]Br2)	108.7480	0.000	1	108.7480	0.000	1	108.1690	0.333	3	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(Br)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]O[6a])(Br)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|O<1>,2|C<3>}	H(CC[6a]Br2)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CBrHH){2|C<3>}	H(CC[6a]BrH)	109.7897	0.385	3	109.7897	0.148	3	109.8742	0.088	5	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]BrH)	110.0010	0.042	2	110.0010	0.002	2	109.8742	0.088	5	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CClHH){1|Cl<1>,1|C<3>,1|N<3>}	H(CC[6a]ClH)	108.5390	0.018	2	108.5390	0.000	2	108.5390	0.000	2	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(Cl)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]O[6a])(Cl)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]ClH)	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4740	0.013	4	109.4774	0.040	54	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4816	0.031	5	109.4774	0.040	54	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|N<3>}	H(CC[6a]HH)	109.4843	0.272	18	109.4774	0.040	54	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|N<3>}	H(CC[6a]HH)	109.5210	0.054	3	109.4774	0.040	54	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4665	0.190	24	109.4774	0.040	54	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	114.3670	0.617	3	114.3670	0.381	3	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|S<2>}	H(CC[6a]HH)	109.4495	0.009	2	109.4689	0.001	38	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4672	0.037	5	109.4689	0.001	38	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4820	0.050	6	109.4689	0.001	38	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4610	0.037	2	109.4689	0.001	38	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CH3){1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4683	0.032	23	109.4689	0.001	38	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.5115	0.025	4	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4712	0.082	16	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.3577	1.488	17	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4700	0.038	2	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4712	0.031	5	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.5020	0.006	2	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4830	0.030	5	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.5310	0.376	53	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|N<3>}	H(CC[6a]HH)	109.4485	0.018	2	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	110.7022	1.414	6	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4530	0.014	2	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4808	0.015	4	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4667	0.019	3	109.5443	0.514	121	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4710	0.043	6	109.4710	0.002	6	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	H(CC[6a]HH)	109.4714	0.048	9	109.4714	0.002	9	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4700	0.000	1	109.4744	0.906	14	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4760	0.024	7	109.4744	0.906	14	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.5023	0.021	3	109.4744	0.906	14	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]HH)	109.4443	2.426	3	109.4744	0.906	14	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4667	0.055	35	109.4788	0.385	68	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]HH)	109.5495	1.601	11	109.4788	0.385	68	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4571	0.032	16	109.4788	0.385	68	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4773	0.023	6	109.4788	0.385	68	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.9087	1.387	6	109.5373	0.276	115	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4782	0.033	13	109.5373	0.276	115	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4772	0.038	8	109.5373	0.276	115	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4636	0.027	5	109.5373	0.276	115	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){3|C<3>}	H(CC[6a]HH)	109.5299	0.504	83	109.5373	0.276	115	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4673	0.039	46	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	110.7720	3.558	21	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4611	0.036	14	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4776	0.025	23	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.7160	0.928	6	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4783	0.058	3	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4692	0.025	9	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|C<3>}	H(CC[6a]HH)	109.5053	0.042	3	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.7924	1.047	190	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<1>,2|C<3>}	H(CC[6a]HH)	109.4493	0.013	3	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4569	0.021	11	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4590	0.042	3	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	111.1687	2.729	3	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>}	H(CC[6a]HH)	109.4710	0.000	1	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4735	0.039	8	109.7462	1.510	344	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	H(CC[6a]HH)	109.9287	1.835	23	109.7409	1.490	79	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CH3){2|C<3>}	H(CC[6a]HH)	109.6638	0.863	56	109.7409	1.490	79	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CH3){2|C<3>}	H(CC[6a]HH)	109.4653	0.010	3	109.4653	0.000	3	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	H(CC[6a]HH)	109.4760	0.030	2	109.4760	0.001	2	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.9900	0.954	38	109.9410	0.844	42	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4783	0.027	3	109.9410	0.844	42	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CH3){2|C<3>}	H(CC[6a]HH)	109.4670	0.000	1	109.9410	0.844	42	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]S)(CH3){2|C<3>}	H(CC[6a]HH)	109.8937	1.051	11	109.8937	1.105	11	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4780	0.065	17	109.4781	0.004	20	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4783	0.071	3	109.4781	0.004	20	109.6567	0.967	929	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4690	0.000	1	109.4690	0.000	1	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	H(CC[6a]HH)	109.4660	0.000	1	109.4660	0.000	1	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	H(CC[6a]HH)	108.2223	4.933	3	109.3544	1.653	33	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4676	0.027	30	109.3544	1.653	33	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4730	0.047	3	109.4730	0.002	3	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.5555	0.621	10	109.5555	0.386	10	109.4084	1.207	48	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4636	0.061	5	109.4636	0.004	5	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4740	0.007	2	109.4740	0.000	2	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.4907	0.021	3	109.4907	0.000	3	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	110.6313	2.035	17	110.5076	3.437	29	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	112.1640	1.695	3	110.5076	3.437	29	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.7217	1.130	9	110.5076	3.437	29	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4839	0.019	9	109.4839	0.000	9	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.4577	0.030	3	109.6291	0.349	53	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	110.1748	1.108	12	109.6291	0.349	53	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4703	0.031	38	109.6291	0.349	53	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4759	0.037	15	109.4759	0.001	15	109.8042	1.166	116	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	S[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]S[6a])(H)3	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]S[6a])(H)3	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4217	0.030	3	109.4217	0.001	3	109.4562	0.002	6	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	2:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	S[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]S[6a])(H)3	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]S[6a])(H)3	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4907	0.025	3	109.4907	0.001	3	109.4562	0.002	6	109.6539	0.997	1111	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]Br2)	107.8560	0.000	1	107.8570	0.000	2	107.8570	0.000	2	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]N[6a])(Br)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBr2H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]Br2)	107.8580	0.000	1	107.8570	0.000	2	107.8570	0.000	2	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CBrHH){1|C<4>,2|C<3>}	H(CC[6a]BrH)	109.7150	0.000	1	109.7150	0.000	1	109.4905	0.063	20	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]BrH)	109.5527	0.044	6	109.4130	0.023	12	109.4905	0.063	20	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]BrH)	109.2895	0.035	4	109.4130	0.023	12	109.4905	0.063	20	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]BrH)	109.2410	0.010	2	109.4130	0.023	12	109.4905	0.063	20	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]N[6a])(Br)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CBrHH){1|C<3>,1|C<4>}	H(CC[6a]BrH)	109.5913	0.354	7	109.5913	0.125	7	109.4905	0.063	20	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	109.7205	0.077	4	109.6448	0.017	6	109.6292	0.022	8	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClHH){1|H<1>,2|C<3>}	H(CC[6a]ClH)	109.4935	0.016	2	109.6448	0.017	6	109.6292	0.022	8	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]N[6a])(Cl)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CClHH){1|C<3>,1|H<1>}	H(CC[6a]ClH)	109.5825	0.247	2	109.5825	0.061	2	109.6292	0.022	8	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH)	H(CC[6a]FF)	C(C[6a]C[6a]N[6a])(F)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CFFH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]FF)	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:F-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(F)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	H(CC[6a]FH)	C(C[6a]C[6a]N[6a])(F)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	H(CC[6a]FH)	111.8845	0.125	2	111.8845	0.016	2	111.8845	0.016	2	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	H(CC[6a]HH)	109.4708	0.060	6	109.4708	0.004	6	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4623	0.013	3	109.4623	0.000	3	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4405	0.037	6	109.4405	0.001	6	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4721	0.028	14	109.4721	0.001	14	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4373	0.043	3	109.4520	0.002	6	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4667	0.041	3	109.4520	0.002	6	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.4587	0.023	3	109.4645	0.001	10	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(CC[6a]HH)	109.4613	0.025	3	109.4645	0.001	10	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4735	0.045	2	109.4645	0.001	10	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4690	0.011	2	109.4645	0.001	10	109.4627	0.001	45	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	H(CC[6a]HH)	109.4693	0.029	3	109.4693	0.001	3	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	H(CC[6a]HH)	109.4525	0.015	2	109.4525	0.000	2	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4694	0.034	5	109.4694	0.001	5	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4675	0.035	2	109.4675	0.001	2	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4573	0.032	4	109.4573	0.001	4	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	110.1938	1.120	12	110.5331	2.846	18	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	111.2117	2.467	6	110.5331	2.846	18	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4405	0.059	2	109.4405	0.003	2	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.5010	0.044	3	109.5010	0.002	3	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4635	0.009	2	109.4730	0.001	5	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4793	0.033	3	109.4730	0.001	5	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.5125	0.029	2	109.5125	0.001	2	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4320	0.024	2	109.4320	0.001	2	109.8679	1.301	48	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]HH)	109.4883	0.024	6	109.4791	0.001	25	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4762	0.041	19	109.4791	0.001	25	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4469	0.053	8	109.7099	0.908	21	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.5020	0.026	3	109.7099	0.908	21	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.9827	1.363	10	109.7099	0.908	21	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4970	0.117	3	109.4970	0.014	3	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]S[6])(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4835	0.026	2	109.4835	0.001	2	109.5754	0.377	51	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4553	0.033	4	109.4553	0.001	4	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4853	0.049	3	109.4853	0.002	3	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]HH)	109.4608	0.047	12	109.4590	0.002	21	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4287	0.027	3	109.4590	0.002	21	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4705	0.033	6	109.4590	0.002	21	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4990	0.010	2	109.4837	0.000	12	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4945	0.023	2	109.4837	0.000	12	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4771	0.015	8	109.4837	0.000	12	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4570	0.035	3	109.4570	0.001	3	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]HH)	110.8357	1.666	3	110.1678	1.646	6	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]N[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.5000	0.043	3	110.1678	1.646	6	109.5530	0.227	49	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.9944	0.994	7	109.9944	0.987	7	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4620	0.042	2	109.4620	0.002	2	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4910	0.024	3	109.4910	0.001	3	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4857	0.017	3	109.4857	0.000	3	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4644	0.034	5	109.4644	0.001	5	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4759	0.032	11	109.4759	0.001	11	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4715	0.013	2	109.4533	0.001	13	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4500	0.031	11	109.4533	0.001	13	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4580	0.000	1	109.4580	0.000	1	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4843	0.055	3	109.8456	0.490	12	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4463	0.020	3	109.8456	0.490	12	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	110.2258	0.854	6	109.8456	0.490	12	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4822	0.026	5	109.4690	0.002	20	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4633	0.059	3	109.4690	0.002	20	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4652	0.048	6	109.4690	0.002	20	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4647	0.035	6	109.4690	0.002	20	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4714	0.036	70	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4689	0.037	24	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4597	0.059	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4775	0.009	2	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4734	0.022	16	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|S<2>}	H(CC[6a]HH)	109.4750	0.017	8	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.5006	0.033	5	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4885	0.021	2	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|S<2>}	H(CC[6a]HH)	109.4705	0.005	2	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4863	0.032	13	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4677	0.026	13	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4320	0.027	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.5113	0.027	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4933	0.031	6	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4887	0.107	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4664	0.042	61	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4735	0.028	8	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4603	0.026	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4717	0.010	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4747	0.040	3	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4841	0.053	10	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<1>,2|C<3>}	H(CC[6a]HH)	109.4915	0.018	2	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4575	0.048	6	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CH3){3|C<3>}	H(CC[6a]HH)	109.4631	0.032	7	109.4721	0.001	276	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4823	0.011	3	109.4769	0.001	8	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4736	0.032	5	109.4769	0.001	8	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(CH3){1|C<4>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.6603	0.956	9	109.6603	0.914	9	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4670	0.041	3	109.4736	0.001	19	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4825	0.039	11	109.4736	0.001	19	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,2|N<3>}	H(CC[6a]HH)	109.4690	0.008	2	109.4736	0.001	19	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4507	0.033	3	109.4736	0.001	19	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4865	0.042	2	109.4865	0.002	2	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4913	0.043	3	109.7150	1.129	32	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	111.9997	2.976	3	109.7150	1.129	32	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4772	0.030	26	109.7150	1.129	32	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4880	0.008	2	109.4912	0.000	4	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4945	0.023	2	109.4912	0.000	4	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4668	0.022	6	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|As<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4624	0.039	25	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4887	0.032	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4764	0.042	13	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4707	0.069	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<2>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4780	0.011	4	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4925	0.387	160	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4836	0.034	19	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4670	0.037	27	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4880	0.013	2	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4721	0.040	19	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.4576	0.044	8	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4715	0.042	50	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.5772	1.638	165	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	109.4810	0.018	2	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4616	0.032	12	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]HH)	109.4732	0.060	13	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.7071	0.577	21	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4630	0.024	5	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]HH)	109.4530	0.018	2	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	110.1226	1.814	5	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.7201	0.789	31	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	111.0783	0.039	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.8728	1.059	109	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4005	0.753	103	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.5798	1.076	395	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6a]HH)	109.4722	0.035	66	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<2>,1|S<3>}	H(CC[6a]HH)	109.4902	0.054	5	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.7930	1.413	26	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4691	0.029	27	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<4>,2|N<2>}	H(CC[6a]HH)	109.4661	0.039	22	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	110.1605	1.225	6	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4808	0.019	19	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<1>,2|C<3>}	H(CC[6a]HH)	109.4820	0.009	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Cl<2>,1|C<1>,1|N<2>}	H(CC[6a]HH)	110.4673	3.479	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4745	0.039	193	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<4>}	H(CC[6a]HH)	109.4653	0.033	9	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5512	0.491	129	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4753	0.047	38	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4793	0.020	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,1|O<2>,1|S<2>}	H(CC[6a]HH)	109.4753	0.042	3	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4827	0.030	14	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4572	0.022	5	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4713	0.025	20	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sb<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4829	0.039	12	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Se<2>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.5108	0.045	5	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4833	0.018	11	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){1|Sn<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4530	0.062	6	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CH3){3|C<3>}	H(CC[6a]HH)	110.6548	1.598	12	109.5593	0.721	1842	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4920	0.021	3	110.2150	1.072	5	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	111.2995	0.605	2	110.2150	1.072	5	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4788	0.024	4	109.4788	0.001	4	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4673	0.021	3	109.4673	0.000	3	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(CH3){4|C<3>}	H(CC[6a]HH)	109.4670	0.038	3	109.4670	0.001	3	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CH3){4|C<3>}	H(CC[6a]HH)	110.2576	1.356	12	110.2576	1.837	12	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.7068	0.623	6	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4522	0.019	5	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.9887	2.515	3	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]HH)	108.7210	1.166	3	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4673	0.029	3	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	110.0814	1.821	32	109.8584	2.492	52	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4645	0.031	4	109.4645	0.001	4	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4810	0.004	2	109.4810	0.000	2	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<2>,1|C<3>}	H(CC[6a]HH)	110.5383	1.831	11	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.6604	1.724	716	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4715	0.039	37	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|N<2>}	H(CC[6a]HH)	109.8793	1.394	10	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4720	0.025	6	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CH3){2|C<3>}	H(CC[6a]HH)	109.4676	0.044	20	109.6602	2.737	800	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CH3){1|C<3>}	H(CC[6a]HH)	109.7498	1.241	12	109.7498	1.540	12	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a])(CH3){2|C<3>,2|N<3>}	H(CC[6a]HH)	109.4460	0.031	2	109.4460	0.001	2	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4713	0.022	3	109.6004	0.183	110	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	110.2368	0.765	19	109.6004	0.183	110	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4655	0.032	62	109.6004	0.183	110	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4462	0.042	6	109.6004	0.183	110	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CH3){2|C<3>}	H(CC[6a]HH)	109.4793	0.052	20	109.6004	0.183	110	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4657	0.025	3	109.4657	0.001	3	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4887	0.033	3	109.4832	0.001	6	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CH3){1|C<3>,1|N<3>}	H(CC[6a]HH)	109.4777	0.027	3	109.4832	0.001	6	109.5875	1.151	3287	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5,6a]C)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5,6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4582	0.253	6	109.4582	0.064	6	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.7490	0.777	9	109.7490	0.604	9	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4527	0.033	3	109.5856	0.792	17	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.6141	0.985	14	109.5856	0.792	17	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4660	0.012	8	109.4660	0.000	8	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.5014	0.598	37	109.5014	0.357	37	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4723	0.019	16	109.4723	0.000	16	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.4901	0.034	8	109.4793	0.001	18	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4706	0.018	10	109.4793	0.001	18	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4900	0.013	2	109.4900	0.000	2	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4693	0.035	15	109.4668	0.001	21	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4605	0.031	6	109.4668	0.001	21	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	110.5207	1.865	9	109.5866	1.331	51	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HH)	109.4694	0.264	8	109.5866	1.331	51	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.3576	0.977	31	109.5866	1.331	51	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|Pd<4>,1|C<3>,1|O<1>}	H(CC[6a]HH)	109.4627	0.039	3	109.5866	1.331	51	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HH)	110.6620	1.674	15	110.6620	2.801	15	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]O[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4915	0.019	2	109.4915	0.000	2	109.6164	0.772	202	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	H(CC[6a]HH)	109.4677	0.035	6	109.4677	0.001	6	109.4654	0.001	15	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	H(CC[6a]HH)	109.4670	0.022	3	109.4670	0.000	3	109.4654	0.001	15	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|N<2>}	H(CC[6a]HH)	109.4623	0.015	6	109.4623	0.000	6	109.4654	0.001	15	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a,6a]N[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a,6a]N[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	H(CC[6a]HH)	109.4750	0.038	3	109.4750	0.001	3	109.4750	0.001	3	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.5175	0.013	2	109.8088	2.420	11	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.8736	1.732	9	109.8088	2.420	11	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.4848	0.025	5	109.4843	0.001	10	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4715	0.030	2	109.4843	0.001	10	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4920	0.021	3	109.4843	0.001	10	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	H(CC[6a]HH)	109.4803	0.065	3	109.4803	0.004	3	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	H(CC[6a]HH)	C(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4660	0.048	6	109.4660	0.002	6	109.5992	0.862	30	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.0695	1.361	2	107.9964	11.807	14	107.9964	11.807	14	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:2:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(H)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	107.8175	3.680	12	107.9964	11.807	14	107.9964	11.807	14	109.5843	1.130	3777	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(Br)2(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[5a,6a]C[6a])(Br)2(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H){1|H<1>,4|C<3>}	H(CC[6a]Br2)	107.0340	0.641	2	107.0340	0.410	2	107.0340	0.410	2	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBr2H){1|H<1>,2|C<3>}	H(CC[6a]Br2)	108.0610	0.000	1	108.0610	0.000	1	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBr2H){2|H<1>,3|C<3>}	H(CC[6a]Br2)	107.9970	0.126	2	107.9970	0.016	2	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBr2H){1|C<3>,2|H<1>}	H(CC[6a]Br2)	107.8720	0.000	1	107.8720	0.000	1	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBr2H){1|C<3>,2|H<1>}	H(CC[6a]Br2)	114.4130	1.721	2	114.4130	2.962	2	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBr2H){1|C<3>,2|H<1>}	H(CC[6a]Br2)	106.9000	0.000	1	106.9000	0.000	1	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]Br2)	107.5525	0.046	2	107.7438	0.284	6	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H){1|C<3>,2|C<4>}	H(CC[6a]Br2)	107.3495	0.541	2	107.7438	0.284	6	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H)	H(CC[6a]Br2)	C(C[6a]C[6a]2)(Br)2(H)	C[6a](C[6a]C[6a]H)2(CBr2H){1|C<3>,2|H<1>}	H(CC[6a]Br2)	108.3295	0.238	2	107.7438	0.284	6	108.7782	6.700	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH){5|C<3>}	H(CC[6a]BrH)	108.4685	0.226	4	108.4685	0.051	4	108.4685	0.051	4	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(Br)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6,6a]C[6a])(Br)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CBrHH){2|C<3>,2|C<4>}	H(CC[6a]BrH)	114.9005	0.114	2	114.9005	0.013	2	114.9005	0.013	2	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]BrH)	109.6231	0.302	9	109.3843	0.200	15	109.3915	0.139	23	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH){2|H<1>,3|C<3>}	H(CC[6a]BrH)	109.0262	0.397	6	109.3843	0.200	15	109.3915	0.139	23	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a,6a]C[6a])(Br)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CBrHH){1|H<1>,3|C<3>}	H(CC[6a]BrH)	109.4049	0.194	8	109.4049	0.038	8	109.3915	0.139	23	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|F<1>,1|H<1>,2|O<2>}	H(CC[6a]BrH)	113.3442	1.434	6	113.3442	2.056	6	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]BrH)	109.2975	0.023	2	109.2975	0.001	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CBrHH){1|H<1>,4|C<3>}	H(CC[6a]BrH)	119.9500	0.000	1	119.9500	0.000	1	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CBrHH){1|H<1>,2|C<3>}	H(CC[6a]BrH)	109.5175	0.009	2	109.5175	0.000	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CBrHH){1|Cl<1>,4|C<3>}	H(CC[6a]BrH)	107.5280	0.160	2	107.5280	0.026	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CBrHH){1|H<1>,2|C<3>}	H(CC[6a]BrH)	109.3661	0.230	7	109.3661	0.053	7	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBrHH){1|H<1>,2|C<3>}	H(CC[6a]BrH)	109.3527	0.277	3	109.3527	0.076	3	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CBrHH){1|C<4>,2|C<3>}	H(CC[6a]BrH)	109.1950	0.443	12	109.1950	0.196	12	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CBrHH){2|C<3>}	H(CC[6a]BrH)	109.4475	0.063	2	109.4475	0.004	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CBrHH){1|H<1>,4|C<3>}	H(CC[6a]BrH)	109.3888	0.327	4	109.3888	0.107	4	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBrHH){1|H<1>,4|C<3>}	H(CC[6a]BrH)	109.3413	0.116	4	109.0680	0.494	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBrHH){2|H<1>,3|C<3>}	H(CC[6a]BrH)	108.9587	0.814	10	109.0680	0.494	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	H(CC[6a]BrH)	109.4070	0.115	4	109.5467	0.055	22	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[6a]BrH)	109.6820	0.095	4	109.5467	0.055	22	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CBrHH){1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]BrH)	109.5479	0.270	14	109.5467	0.055	22	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CBrHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]BrH)	109.5963	0.010	3	109.5963	0.000	3	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]BrH)	109.4890	0.057	3	109.3288	0.074	25	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]BrH)	109.2878	0.291	20	109.3288	0.074	25	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]BrH)	109.4995	0.019	2	109.3288	0.074	25	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]BrH)	108.6305	0.012	2	108.6305	0.000	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]BrH)	109.5700	0.225	3	109.4824	0.064	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]BrH)	109.6610	0.355	4	109.4824	0.064	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]BrH)	109.3427	0.102	7	109.4824	0.064	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]C)2(CBrHH){1|C<3>,2|C<4>}	H(CC[6a]BrH)	109.6313	0.836	34	109.6313	0.699	34	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CBrHH){1|C<3>,2|H<1>}	H(CC[6a]BrH)	109.2220	0.025	2	109.2220	0.001	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]BrH)	109.4562	0.077	4	109.4562	0.006	4	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrHH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]BrH)	109.5755	0.085	4	109.5755	0.007	4	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrHH){1|C<3>,1|H<1>}	H(CC[6a]BrH)	109.8590	0.023	2	109.8590	0.001	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]BrH)	109.4181	0.102	14	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]BrH)	109.3365	0.008	2	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]BrH)	109.5968	0.059	5	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,2|C<4>}	H(CC[6a]BrH)	109.4302	0.099	5	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,2|H<1>}	H(CC[6a]BrH)	109.5348	0.704	45	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|C<3>,2|O<2>}	H(CC[6a]BrH)	109.4685	0.045	2	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]H)2(CBrHH){1|H<1>,2|C<3>}	H(CC[6a]BrH)	109.5297	0.152	12	109.5061	0.268	85	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CBrHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]BrH)	109.4335	0.050	2	109.4335	0.003	2	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]O)2(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]O)2(CBrHH){1|C<3>,2|C<4>}	H(CC[6a]BrH)	109.0937	0.192	14	109.0937	0.037	14	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CBrHH)	H(CC[6a]BrH)	C(C[6a]C[6a]2)(Br)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CBrHH){1|C<3>,2|H<1>}	H(CC[6a]BrH)	109.1747	0.092	3	109.1747	0.009	3	109.5409	1.055	271	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:C-1:C-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(C)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]ClH)	109.5375	0.021	2	109.5375	0.000	2	109.6128	1.591	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CClHH){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]ClH)	111.1550	4.238	2	111.1550	17.964	2	109.6128	1.591	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]ClH)	109.2592	0.086	4	109.3683	0.038	12	109.6128	1.591	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]ClH)	109.5590	0.044	4	109.3683	0.038	12	109.6128	1.591	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a,6a]C[6a])(Cl)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClHH){2|H<1>,3|C<3>}	H(CC[6a]ClH)	109.2867	0.237	4	109.3683	0.038	12	109.6128	1.591	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	109.0325	0.389	11	109.0325	0.151	11	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClHH){1|O<2>,2|C<3>}	H(CC[6a]ClH)	109.2185	0.022	2	109.2185	0.000	2	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	109.0950	0.000	1	109.0950	0.000	1	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CClHH){2|C<3>}	H(CC[6a]ClH)	110.4010	1.762	4	110.4010	3.104	4	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClHH){2|H<1>,3|C<3>}	H(CC[6a]ClH)	109.1460	0.000	1	109.1460	0.000	1	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]ClH)	109.1130	0.038	2	109.1130	0.001	2	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	109.4290	0.013	2	109.4290	0.000	2	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH){1|C<3>,2|C<4>}	H(CC[6a]ClH)	109.5030	0.174	5	109.4310	0.039	7	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]C)2(CClHH){1|C<3>,2|H<1>}	H(CC[6a]ClH)	109.2510	0.153	2	109.4310	0.039	7	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]F)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]F)2(CClHH){1|C<3>,2|C<4>}	H(CC[6a]ClH)	109.3750	0.089	5	109.3750	0.008	5	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH){1|C<3>,2|H<1>}	H(CC[6a]ClH)	108.9232	0.728	4	108.9232	0.530	4	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	108.2365	1.559	2	109.0835	0.621	8	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]ClH)	109.3467	0.015	3	109.0835	0.621	8	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CClHH){1|H<1>,2|C<3>}	H(CC[6a]ClH)	109.3850	0.009	3	109.0835	0.621	8	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CClHH){1|C<3>,2|C<4>}	H(CC[6a]ClH)	111.6939	2.147	8	111.6939	4.610	8	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CClHH){1|C<3>,1|H<1>}	H(CC[6a]ClH)	109.3860	0.000	1	109.3860	0.000	1	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]ClH)	109.6917	0.033	4	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]ClH)	109.5168	0.081	4	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|C<4>}	H(CC[6a]ClH)	109.6686	0.764	14	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|H<1>}	H(CC[6a]ClH)	109.4127	0.692	19	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|C<3>,2|N<3>}	H(CC[6a]ClH)	111.4765	1.776	2	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(CClHH){1|H<1>,2|C<3>}	H(CC[6a]ClH)	108.9720	0.055	2	109.5985	0.636	45	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH)	H(CC[6a]ClH)	C(C[6a]C[6a]2)(Cl)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH){1|C<3>,2|H<1>}	H(CC[6a]ClH)	109.3732	0.160	8	109.3732	0.026	8	109.5948	1.156	109	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CFFH)	H(CC[6a]FF)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CFFH){4|C<3>}	H(CC[6a]FF)	109.6345	0.285	2	109.6345	0.081	2	114.3108	21.666	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH)	H(CC[6a]FF)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH){1|C<3>,2|H<1>}	H(CC[6a]FF)	120.4270	0.000	1	120.4270	0.000	1	114.3108	21.666	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)2(CFFH)	H(CC[6a]FF)	C(C[6a]C[6a]2)(F)2(H)	C[6a](C[6a]C[6a]H)2(CFFH){1|C<3>,2|H<1>}	H(CC[6a]FF)	115.9290	0.448	2	115.9290	0.201	2	114.3108	21.666	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:F-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(F)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CFHH)	H(CC[6a]FH)	C(C[6a]C[6a]2)(F)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CFHH){1|C<3>,2|C<4>}	H(CC[6a]FH)	109.0145	0.037	2	109.0145	0.001	2	109.0145	0.001	2	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(C[6a]B[6a]2)(H)3	C[6a](B[6a]C[6a]N[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]B[6a]2)(H)3	C[6a](B[6a]C[6a]N[6a])2(CH3){7|C<3>}	H(CC[6a]HH)	109.4530	0.014	3	109.4530	0.000	3	109.4540	0.000	6	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(C[6a]B[6a]2)(H)3	C[6a](B[6a]N[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]B[6a]2)(H)3	C[6a](B[6a]N[6a]N)2(CH3){3|C<3>}	H(CC[6a]HH)	109.4550	0.022	3	109.4550	0.000	3	109.4540	0.000	6	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]B[6a]C[6a])(H)3	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]B[6a]C[6a])(H)3	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	112.7772	2.799	6	112.7772	7.835	6	111.2700	6.917	11	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]B[6a]C[6a])(H)3	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]B[6a]C[6a])(H)3	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4614	0.055	5	109.4614	0.003	5	111.2700	6.917	11	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[4,6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	H(CC[6a]HH)	C(C[6a]C[4,6a]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4464	0.030	7	109.4608	0.001	13	109.4608	0.001	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[4,6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	H(CC[6a]HH)	C(C[6a]C[4,6a]2)(H)3	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4775	0.031	6	109.4608	0.001	13	109.4608	0.001	13	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4807	0.032	6	109.4807	0.001	6	111.3432	3.539	60	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	111.6450	1.842	48	111.6450	3.393	48	111.3432	3.539	60	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[4,6a]C[6a])(H)3	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	H(CC[6a]HH)	110.7915	2.111	6	110.7915	4.458	6	111.3432	3.539	60	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6,6a]C[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6,6a]C[6a])(H)3	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4934	0.025	5	109.4934	0.001	5	109.4934	0.001	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	H(CC[6a]HH)	109.5040	0.029	5	109.5040	0.001	5	109.4879	0.001	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	H(CC[6a]HH)	109.4705	0.015	2	109.4705	0.000	2	109.4879	0.001	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]S[5])2(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]2)(H)3	C[6a](C[5,6a]C[5,6a]S[5])2(CH3){5|C<3>}	H(CC[6a]HH)	109.4650	0.011	2	109.4650	0.000	2	109.4879	0.001	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6,6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6,6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	111.4267	2.174	3	111.4267	4.724	3	111.8802	2.370	6	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6,6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6,6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	112.3337	0.765	3	112.3337	0.585	3	111.8802	2.370	6	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4845	0.011	2	109.4845	0.000	2	109.4775	0.000	4	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4705	0.013	2	109.4705	0.000	2	109.4775	0.000	4	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]HH)	109.4657	0.015	4	109.4699	0.001	10	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4727	0.044	6	109.4699	0.001	10	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4830	0.040	3	109.4830	0.002	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4813	0.032	3	109.4813	0.001	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]HH)	109.4756	0.031	8	109.4736	0.001	12	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4695	0.013	4	109.4736	0.001	12	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4448	0.049	5	109.4448	0.002	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.5010	0.072	3	109.5010	0.005	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4878	0.280	9	109.4715	0.010	71	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4691	0.036	62	109.4715	0.010	71	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4654	0.030	9	109.4681	0.001	14	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){5|C<3>}	H(CC[6a]HH)	109.4730	0.024	5	109.4681	0.001	14	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4642	0.028	5	109.4642	0.001	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3){7|C<3>}	H(CC[6a]HH)	109.4680	0.049	8	109.4680	0.002	8	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<2>,4|C<3>}	H(CC[6a]HH)	109.4625	0.067	6	109.6126	1.012	38	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4786	0.197	17	109.6126	1.012	38	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4577	0.022	6	109.6126	1.012	38	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|S<6>,4|C<3>}	H(CC[6a]HH)	109.4713	0.027	3	109.6126	1.012	38	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	110.3678	2.559	6	109.6126	1.012	38	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4497	0.008	3	109.4709	0.002	28	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4672	0.032	6	109.4709	0.002	28	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4573	0.028	8	109.4709	0.002	28	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4876	0.043	8	109.4709	0.002	28	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4913	0.077	3	109.4709	0.002	28	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4673	0.012	3	109.4673	0.000	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4235	0.035	2	109.4235	0.001	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4730	0.040	3	109.4752	0.001	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4785	0.019	2	109.4752	0.001	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4455	0.056	2	109.4686	0.001	40	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|O<2>}	H(CC[6a]HH)	109.4580	0.041	3	109.4686	0.001	40	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|N<2>,1|S<2>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4652	0.031	5	109.4686	0.001	40	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4717	0.028	28	109.4686	0.001	40	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4725	0.047	2	109.4686	0.001	40	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,5|C<3>}	H(CC[6a]HH)	109.4653	0.012	3	109.4663	0.002	30	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CC[6a]HH)	109.4615	0.026	4	109.4663	0.002	30	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4713	0.028	3	109.4663	0.002	30	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4667	0.015	3	109.4663	0.002	30	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4667	0.060	17	109.4663	0.002	30	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4650	0.027	3	109.4638	0.000	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4620	0.013	2	109.4638	0.000	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4856	0.071	5	109.4856	0.005	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4765	0.016	2	109.4765	0.000	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4597	0.022	3	109.4757	0.001	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4917	0.021	3	109.4757	0.001	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]HH)	109.4527	0.048	3	109.4709	0.002	8	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4818	0.034	5	109.4709	0.002	8	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4675	0.011	4	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(CC[6a]HH)	109.4687	0.044	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]HH)	109.5277	0.024	4	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4617	0.030	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	H(CC[6a]HH)	109.4633	0.007	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.5063	0.064	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4980	0.018	2	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4780	0.025	6	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4993	0.021	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	110.8997	1.467	6	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4587	0.026	4	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4607	0.077	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4880	0.046	3	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4514	0.041	8	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.9556	1.465	9	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Sn<4>,2|C<4>,3|C<3>}	H(CC[6a]HH)	110.0162	0.873	6	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4778	0.029	6	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.9863	1.023	13	109.7317	0.658	89	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4867	0.072	3	109.4715	0.003	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4563	0.018	3	109.4715	0.003	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4685	0.004	2	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4530	0.026	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]HH)	109.4554	0.028	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]HH)	109.4706	0.041	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]HH)	109.4700	0.016	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4890	0.024	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4903	0.020	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,3|C<4>}	H(CC[6a]HH)	109.4360	0.013	2	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4527	0.023	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<5>,3|H<1>}	H(CC[6a]HH)	109.4917	0.020	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4635	0.037	2	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]HH)	109.4803	0.023	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5033	0.023	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4858	0.031	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4898	0.029	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4533	0.037	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4640	0.017	4	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	H(CC[6a]HH)	109.4395	0.006	2	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	110.9923	1.281	23	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4780	0.021	8	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4712	0.017	4	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4812	0.054	5	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	116.3013	6.847	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|P<4>,3|C<3>}	H(CC[6a]HH)	109.4563	0.025	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	110.7918	1.071	18	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4889	0.040	7	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4760	0.037	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4846	0.158	12	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4661	0.163	28	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4723	0.051	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|O<2>,5|C<3>}	H(CC[6a]HH)	109.4810	0.037	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<5>,2|Ru<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	H(CC[6a]HH)	109.4560	0.027	2	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<7>,1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]HH)	109.4857	0.022	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4505	0.052	19	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4857	0.025	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	H(CC[6a]HH)	109.4760	0.029	28	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.5077	0.027	3	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4543	0.027	4	109.7977	1.443	243	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4730	0.032	4	109.4689	0.001	8	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4647	0.034	4	109.4689	0.001	8	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3){2|H<1>,3|C<3>,3|C<4>}	H(CC[6a]HH)	109.4592	0.030	6	109.4592	0.001	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4833	0.019	3	109.4715	0.000	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4597	0.022	3	109.4715	0.000	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4410	0.027	2	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4503	0.051	3	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4712	0.033	5	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|O<2>}	H(CC[6a]HH)	109.4777	0.025	3	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4720	0.000	1	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4885	0.005	2	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]HH)	109.5033	0.011	3	109.4727	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4307	0.011	3	109.4307	0.000	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(CC[6a]HH)	109.5050	0.033	5	109.5050	0.001	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4675	0.008	2	109.4675	0.000	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CC[6a]HH)	109.4405	0.021	2	109.4405	0.000	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4755	0.022	2	109.4775	0.001	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4785	0.045	4	109.4775	0.001	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4780	0.069	2	109.4780	0.005	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4768	0.021	6	109.4768	0.000	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4682	0.020	5	109.4682	0.000	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4590	0.029	4	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4765	0.024	4	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4790	0.048	2	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]HH)	109.4560	0.025	3	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	H(CC[6a]HH)	109.4873	0.018	3	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4743	0.048	3	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4657	0.034	14	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4592	0.020	4	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4728	0.034	43	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Mg<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4726	0.025	24	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4483	0.026	3	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4617	0.038	15	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4707	0.022	3	109.4693	0.001	125	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4480	0.020	3	109.4480	0.000	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.5003	0.035	6	109.4811	0.002	21	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4734	0.040	15	109.4811	0.002	21	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4642	0.045	9	109.4642	0.002	9	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4957	0.029	3	109.4743	0.001	9	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4637	0.015	6	109.4743	0.001	9	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(CC[6a]HH)	110.3850	0.450	3	110.3850	0.202	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4943	0.043	3	109.4830	0.002	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4660	0.037	2	109.4830	0.002	5	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4910	0.011	2	109.4910	0.000	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5132	0.275	6	109.5132	0.076	6	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Fe<5>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4617	0.046	3	109.4778	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4942	0.016	4	109.4778	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Ru<9>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4697	0.015	3	109.4778	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4823	0.023	3	109.4778	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4768	0.041	6	109.4778	0.001	19	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4721	0.023	7	109.4780	0.002	35	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|Ru<8>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4808	0.047	26	109.4780	0.002	35	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){2|Pd<5>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4615	0.006	2	109.4780	0.002	35	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4765	0.022	2	109.4789	0.001	7	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4798	0.030	5	109.4789	0.001	7	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4718	0.017	4	109.4718	0.000	4	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	H(CC[6a]HH)	111.9123	4.328	3	111.9123	18.731	3	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(H)3	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4640	0.024	2	109.4640	0.001	2	109.5935	0.541	967	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4535	0.023	4	109.4535	0.001	4	109.4577	0.000	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(CC[6a]HH)	109.4490	0.022	3	109.4610	0.001	5	109.4577	0.000	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4790	0.008	2	109.4610	0.001	5	109.4577	0.000	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	H(CC[6a]HH)	109.4720	0.023	3	109.4720	0.001	3	109.4720	0.001	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3){2|B<3>,2|N<3>,3|C<3>}	H(CC[6a]HH)	109.4750	0.004	2	109.4750	0.000	2	109.4750	0.000	7	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3){5|C<3>}	H(CC[6a]HH)	109.4590	0.021	2	109.4590	0.000	2	109.4750	0.000	7	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	H(CC[6a]HH)	109.4857	0.015	3	109.4857	0.000	3	109.4750	0.000	7	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CC[6a]HH)	109.4650	0.017	2	109.4650	0.000	2	109.4704	0.000	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4740	0.022	3	109.4740	0.000	3	109.4704	0.000	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4760	0.006	3	109.4760	0.000	3	109.4862	0.001	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){2|H<1>,5|C<3>}	H(CC[6a]HH)	109.5015	0.039	2	109.5015	0.002	2	109.4862	0.001	5	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4615	0.024	4	109.4615	0.001	4	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4848	0.020	5	109.4848	0.000	5	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4470	0.047	3	109.4470	0.002	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4786	0.043	8	109.4757	0.025	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4745	0.225	13	109.4757	0.025	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4742	0.015	5	109.4757	0.025	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4570	0.027	5	109.6142	0.172	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.8298	0.626	10	109.6142	0.172	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4787	0.027	3	109.6142	0.172	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.5070	0.068	5	109.6142	0.172	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){2|N<3>,3|N<2>}	H(CC[6a]HH)	109.4717	0.031	3	109.6142	0.172	26	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3){1|N<3>,3|C<3>}	H(CC[6a]HH)	111.8713	2.235	3	111.8713	4.994	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4800	0.020	3	109.4800	0.000	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]HH)	109.5430	1.757	6	109.5430	3.086	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3){1|S<2>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4700	0.016	2	109.4700	0.000	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.5173	0.034	6	109.5173	0.001	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	H(CC[6a]HH)	111.7003	1.030	3	111.7003	1.062	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	H(CC[6a]HH)	109.4641	0.033	15	109.4641	0.001	15	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	H(CC[6a]HH)	109.4840	0.000	1	109.4692	0.001	17	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	H(CC[6a]HH)	109.4719	0.033	11	109.4692	0.001	17	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4604	0.035	5	109.4692	0.001	17	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	H(CC[6a]HH)	109.4609	0.024	7	109.4609	0.001	7	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4785	0.012	2	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	H(CC[6a]HH)	109.4890	0.027	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4607	0.032	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	110.1204	1.002	5	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4687	0.024	9	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]HH)	110.1753	1.486	15	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	H(CC[6a]HH)	109.4715	0.028	35	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4900	0.030	8	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	H(CC[6a]HH)	109.4570	0.019	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4655	0.045	10	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4575	0.006	2	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,2|N<2>}	H(CC[6a]HH)	109.4707	0.009	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4797	0.041	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4730	0.017	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4840	0.044	3	109.6013	0.403	107	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4677	0.030	3	109.4677	0.001	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4728	0.049	9	109.4728	0.002	9	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3){1|B<4>,4|C<3>}	H(CC[6a]HH)	109.4606	0.067	14	109.4606	0.004	14	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4463	0.031	3	109.4463	0.001	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4544	0.039	5	109.4544	0.002	5	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4526	0.042	5	109.4526	0.002	5	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4773	0.034	6	109.4773	0.001	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4497	0.029	6	109.4497	0.001	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4933	0.059	3	109.4747	0.003	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4560	0.044	3	109.4747	0.003	6	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4610	0.066	6	109.8987	0.693	9	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]HH)	110.7740	1.019	3	109.8987	0.693	9	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4423	0.019	3	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4800	0.051	2	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4827	0.046	3	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5742	0.415	42	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4829	0.041	16	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.5083	0.019	3	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4674	0.017	5	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4690	0.033	24	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4560	0.042	8	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4788	0.036	6	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4517	0.027	7	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.6256	0.750	63	109.5483	0.237	182	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.5183	0.023	3	109.5183	0.001	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4760	0.024	2	109.4760	0.001	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4650	0.008	2	109.4718	0.001	22	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4725	0.031	20	109.4718	0.001	22	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	H(CC[6a]HH)	109.4662	0.030	38	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4723	0.026	53	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	H(CC[6a]HH)	109.4719	0.025	31	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|F<1>,3|C<3>}	H(CC[6a]HH)	109.4759	0.030	7	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	110.4585	2.053	6	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4830	0.058	6	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4823	0.013	3	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	H(CC[6a]HH)	109.4714	0.029	47	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4703	0.023	3	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4683	0.017	3	109.5014	0.137	197	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4815	0.013	2	109.4815	0.000	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3){1|N<2>,4|C<3>}	H(CC[6a]HH)	109.4730	0.000	1	109.4730	0.000	1	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4730	0.006	2	109.4730	0.000	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4745	0.057	2	109.4745	0.003	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4954	0.050	10	109.4954	0.003	10	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3){5|C<3>}	H(CC[6a]HH)	109.4625	0.013	2	109.4625	0.000	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4690	0.017	3	109.4690	0.000	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4585	0.005	2	109.4585	0.000	2	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<2>}	H(CC[6a]HH)	109.4660	0.049	5	109.4801	0.003	17	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	H(CC[6a]HH)	109.4860	0.063	12	109.4801	0.003	17	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4883	0.025	3	109.4883	0.001	3	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4698	0.031	43	109.4698	0.001	43	109.5419	0.233	792	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[5,6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]N[5,6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	H(CC[6a]HH)	109.4610	0.030	3	109.4610	0.001	3	109.4610	0.001	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4663	0.020	4	109.2334	0.213	18	109.2334	0.213	18	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.1042	0.554	6	109.2334	0.213	18	109.2334	0.213	18	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	108.8190	0.715	3	109.2334	0.213	18	109.2334	0.213	18	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6,6a]C[6a])(H)3	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4510	0.025	5	109.2334	0.213	18	109.2334	0.213	18	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])2(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])2(CH3){2|C<4>,5|C<3>}	H(CC[6a]HH)	109.4730	0.008	2	109.4730	0.000	2	109.4730	0.000	2	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.5127	0.016	3	109.5127	0.000	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	112.3847	4.311	11	110.6326	8.944	28	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4570	0.064	3	110.6326	8.944	28	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.5163	0.049	9	110.6326	8.944	28	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4924	0.049	5	110.6326	8.944	28	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4557	0.011	3	109.4685	0.001	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4813	0.026	3	109.4685	0.001	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4509	0.052	9	109.4509	0.003	9	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4633	0.023	3	109.4633	0.001	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.3332	0.297	6	109.3332	0.088	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4690	0.016	3	109.4680	0.016	20	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4678	0.139	17	109.4680	0.016	20	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4620	0.014	3	109.4669	0.001	8	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4698	0.044	5	109.4669	0.001	8	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4835	0.005	2	109.9261	0.671	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	110.2772	0.979	10	109.9261	0.671	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<4>,3|C<3>}	H(CC[6a]HH)	109.4997	0.057	3	109.9261	0.671	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4773	0.011	3	109.9261	0.671	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4787	0.032	9	109.4787	0.001	9	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4597	0.025	3	109.4597	0.001	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4730	0.013	2	109.4730	0.000	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4663	0.329	3	109.4663	0.108	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4868	0.018	6	109.4762	0.002	20	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4826	0.036	9	109.4762	0.002	20	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4518	0.069	5	109.4762	0.002	20	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6a]HH)	109.5037	0.013	3	109.5037	0.000	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4783	0.011	6	109.4741	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4760	0.008	3	109.4741	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4637	0.051	3	109.4741	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4642	0.070	6	109.4642	0.005	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4907	0.024	3	109.4907	0.001	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4770	0.033	7	109.5772	0.342	200	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4986	0.380	92	109.5772	0.342	200	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.6557	0.733	101	109.5772	0.342	200	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3){1|C<3>,1|O<1>,3|O<2>}	H(CC[6a]HH)	109.4709	0.037	22	109.4714	0.002	27	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3){1|Cl<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4734	0.059	5	109.4714	0.002	27	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5030	0.924	3	109.4707	0.343	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4383	0.043	3	109.4707	0.343	6	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(CC[6a]HH)	109.4743	0.044	3	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4750	0.045	3	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4210	0.000	1	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4705	0.006	2	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4573	0.042	3	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4857	0.036	3	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4503	0.026	3	109.4661	0.001	18	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.5655	0.130	6	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4788	0.104	36	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>}	H(CC[6a]HH)	109.9016	1.386	11	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]HH)	109.4586	0.027	5	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(CC[6a]HH)	109.4390	0.018	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]HH)	109.4628	0.017	5	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4658	0.032	6	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4730	0.034	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4665	0.039	6	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,3|O<2>}	H(CC[6a]HH)	109.4675	0.023	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	112.8397	6.039	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4510	0.020	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4758	0.027	8	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4725	0.022	12	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4121	3.272	8	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4623	0.010	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4680	0.008	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4796	0.033	7	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4700	0.000	1	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4783	0.011	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4857	0.011	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4819	0.045	11	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4794	0.015	5	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4360	0.000	1	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4657	0.043	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4490	0.038	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4710	0.006	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>,2|N<3>}	H(CC[6a]HH)	109.4705	0.008	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4567	0.034	3	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.5000	0.035	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4840	0.008	2	109.5619	1.219	167	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.4600	0.027	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]HH)	109.4673	0.036	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4698	1.246	32	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[6a]HH)	110.5305	2.449	12	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4510	0.022	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4720	0.044	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4700	0.021	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4977	0.027	3	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4656	0.025	5	109.6594	1.898	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(CH3){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4680	0.040	2	109.4680	0.002	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4675	0.035	2	109.4675	0.001	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4480	0.022	3	109.4480	0.000	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4752	0.018	10	109.4752	0.000	10	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4547	0.022	3	109.4672	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4903	0.012	3	109.4672	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4620	0.023	6	109.4672	0.001	12	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4766	0.020	5	109.4766	0.000	5	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[6a]HH)	109.4730	0.015	4	109.4730	0.000	4	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4740	0.007	2	109.4740	0.000	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	H(CC[6a]HH)	109.4793	0.057	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.4723	0.013	6	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(CC[6a]HH)	109.4838	0.014	4	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4623	0.030	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4813	0.018	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(CC[6a]HH)	109.4763	0.010	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4790	0.023	2	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|I<1>,2|C<3>}	H(CC[6a]HH)	109.4663	0.039	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4627	0.019	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4317	0.042	4	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]HH)	109.4727	0.017	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4670	0.017	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4550	0.021	3	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4875	0.018	2	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.7848	1.955	22	109.5726	1.239	67	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(CC[6a]HH)	109.4761	0.033	9	109.4761	0.001	9	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[5a,6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4724	0.027	16	109.4724	0.001	16	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4740	0.020	3	109.4740	0.000	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4657	0.028	3	109.4657	0.001	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	110.1298	2.259	22	110.3562	4.085	50	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|S<4>,2|C<4>}	H(CC[6a]HH)	109.4893	0.017	3	110.3562	4.085	50	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]HH)	110.6595	1.907	25	110.3562	4.085	50	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4610	0.058	2	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.3820	0.071	3	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4862	0.023	4	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4821	0.023	7	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Ga<5>,1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4937	0.041	3	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4723	0.034	4	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4887	0.044	3	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|In<5>,1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4931	0.030	7	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){1|Nb<7>,1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4756	0.028	8	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4862	0.030	13	109.4778	0.002	54	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4690	0.021	3	109.4690	0.000	3	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4697	0.007	3	109.4664	0.000	16	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4657	0.023	13	109.4664	0.000	16	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4740	0.026	5	109.4779	0.001	7	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]O[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4875	0.019	2	109.4779	0.001	7	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4910	0.011	2	109.4910	0.000	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]C[6a])(H)3	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]HH)	109.4610	0.004	2	109.4610	0.000	2	109.6238	1.089	919	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6,6a]N[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	H(CC[6a]HH)	109.1823	2.420	3	109.1823	5.858	3	109.1823	5.858	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[4a,6a]-3:C-4:	C-4:	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4681	0.022	10	109.4681	0.000	10	109.4681	0.000	10	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3){2|H<1>,6|C<3>}	H(CC[6a]HH)	109.4606	0.024	5	109.4606	0.001	5	109.4703	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|B<6>,1|C<6>,1|N<2>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4873	0.056	3	109.4747	0.001	11	109.4703	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4733	0.013	3	109.4747	0.001	11	109.4703	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,2|H<1>,5|C<3>}	H(CC[6a]HH)	109.4700	0.028	3	109.4747	0.001	11	109.4703	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4650	0.011	2	109.4747	0.001	11	109.4703	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4910	0.000	1	109.4933	0.000	3	109.4933	0.000	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]HH)	109.4945	0.023	2	109.4933	0.000	3	109.4933	0.000	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4735	0.034	10	109.4736	0.001	16	109.4736	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]HH)	109.4763	0.016	3	109.4736	0.001	16	109.4736	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6,6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4713	0.009	3	109.4736	0.001	16	109.4736	0.001	16	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CH3){1|H<1>,1|N<2>,5|C<3>}	H(CC[6a]HH)	109.4730	0.078	3	109.4730	0.006	3	109.5817	0.254	68	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	H(CC[6a]HH)	109.4770	0.023	5	109.6167	0.328	52	109.5817	0.254	68	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CC[6a]HH)	109.6316	0.601	47	109.6167	0.328	52	109.5817	0.254	68	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CH3){5|C<3>}	H(CC[6a]HH)	109.4667	0.040	13	109.4667	0.002	13	109.5817	0.254	68	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]B[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4674	0.052	7	109.4674	0.003	7	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4815	0.015	2	109.4815	0.000	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<2>,1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4343	0.016	3	109.4343	0.000	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	111.3660	1.779	6	110.6090	2.713	10	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4735	0.029	4	110.6090	2.713	10	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O[6a])(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4789	0.025	8	109.4789	0.001	8	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]S[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]S[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4942	0.022	5	109.4942	0.000	5	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6,6a]H)(CH3){4|C<3>}	H(CC[6a]HH)	109.4777	0.028	3	109.4777	0.001	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a,6a]H)(CH3){4|C<3>}	H(CC[6a]HH)	109.5128	0.049	5	109.5128	0.002	5	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4535	0.065	6	109.4535	0.004	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4852	0.029	6	109.4852	0.001	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4653	0.022	3	109.4653	0.000	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5230	0.090	3	109.5230	0.008	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4947	0.574	6	109.4947	0.330	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O[6a])(CH3){1|N<2>,5|C<3>}	H(CC[6a]HH)	109.5020	0.033	3	109.5020	0.001	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4752	0.031	6	109.4752	0.001	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	110.6350	1.302	3	110.6350	1.696	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4773	0.025	3	109.4773	0.001	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4805	0.019	2	109.4805	0.000	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4637	0.020	3	109.4637	0.000	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(CH3){5|C<3>}	H(CC[6a]HH)	109.4580	0.034	2	109.4580	0.001	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4767	0.035	10	109.8631	0.981	74	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4730	0.000	1	109.8631	0.981	74	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.9992	1.119	55	109.8631	0.981	74	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4653	0.014	3	109.8631	0.981	74	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4558	0.019	5	109.8631	0.981	74	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4582	0.044	6	109.4582	0.002	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){2|C<3>,3|O<2>}	H(CC[6a]HH)	109.4640	0.000	1	109.4640	0.000	1	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4540	0.022	3	109.4672	0.001	16	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4703	0.026	13	109.4672	0.001	16	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4790	0.040	2	109.4790	0.002	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]HH)	109.5047	0.059	3	109.4816	0.002	7	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3){1|C<4>,2|O<2>,4|C<3>}	H(CC[6a]HH)	109.4643	0.033	3	109.4816	0.002	7	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4640	0.000	1	109.4816	0.002	7	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4540	0.029	3	109.4756	0.001	9	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(CH3){1|O<2>,4|C<3>}	H(CC[6a]HH)	109.4863	0.023	6	109.4756	0.001	9	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4685	0.009	2	109.4685	0.000	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4455	0.049	2	109.4455	0.002	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	111.9230	1.277	3	111.9230	1.631	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4890	0.045	2	109.4890	0.002	2	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4647	0.021	3	109.4647	0.000	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4647	0.007	3	109.4647	0.000	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.8570	1.395	65	109.8570	1.945	65	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4683	0.048	9	109.6516	0.184	17	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4790	0.062	2	109.6516	0.184	17	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(CC[6a]HH)	109.9840	0.616	6	109.6516	0.184	17	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4523	0.025	7	109.4523	0.001	7	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4707	0.025	15	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4671	0.032	8	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4696	0.025	8	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4742	0.024	6	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4655	0.013	2	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4910	0.006	2	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4692	0.057	5	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4502	0.018	4	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4789	0.030	10	109.4708	0.001	60	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4537	0.027	4	109.4537	0.001	4	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	111.0298	1.910	20	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4721	0.064	53	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4660	0.025	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(CC[6a]HH)	110.2338	1.095	6	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4858	0.033	18	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4711	0.042	38	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	H(CC[6a]HH)	109.4787	0.024	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4687	0.031	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4647	0.028	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4558	0.023	5	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4940	0.034	2	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4497	0.021	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4676	0.029	5	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5257	0.052	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	110.1927	1.275	6	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]HH)	110.7963	1.633	6	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.9891	1.159	41	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]HH)	111.5550	2.712	6	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	111.5953	5.344	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.6517	0.652	290	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|N<2>}	H(CC[6a]HH)	109.4819	0.039	12	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4733	0.038	35	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4500	1.313	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4337	0.030	3	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4860	0.032	5	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>,2|O<2>}	H(CC[6a]HH)	109.4689	0.039	18	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4654	0.022	8	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	110.2483	1.930	58	109.7533	1.051	659	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4847	0.018	3	109.4722	0.000	12	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4628	0.017	6	109.4722	0.000	12	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4787	0.016	3	109.4722	0.000	12	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4460	0.028	3	109.4656	0.001	5	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4950	0.006	2	109.4656	0.001	5	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4950	0.000	1	109.4950	0.000	1	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4607	0.028	3	109.4607	0.001	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	112.2370	3.693	3	112.2370	13.642	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,5|C<3>}	H(CC[6a]HH)	109.4570	0.044	7	110.0815	1.075	10	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	111.5387	0.532	3	110.0815	1.075	10	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CC[6a]HH)	109.4744	0.036	12	109.4744	0.001	12	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4723	0.016	3	109.4723	0.000	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4710	0.043	6	109.4710	0.002	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4497	0.050	3	109.4705	0.002	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4913	0.030	3	109.4705	0.002	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4745	0.005	2	109.4570	0.000	4	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4395	0.011	2	109.4570	0.000	4	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4777	0.052	3	109.4777	0.003	3	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4641	0.036	15	109.4641	0.001	15	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<2>,3|C<3>}	H(CC[6a]HH)	109.4857	0.020	3	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4530	0.023	3	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4440	0.038	2	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4345	0.040	2	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4744	0.019	5	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4804	0.038	13	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.5005	0.018	2	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.6921	0.741	55	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4646	0.032	13	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CH3){4|C<3>}	H(CC[6a]HH)	109.4842	0.038	6	109.5885	0.301	104	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4673	0.057	6	109.4673	0.003	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	110.3900	2.452	13	110.3900	6.010	13	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4377	0.037	3	109.4513	0.003	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4650	0.076	3	109.4513	0.003	6	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4611	0.029	7	109.4712	0.001	31	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4688	0.027	12	109.4712	0.001	31	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CH3){1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4793	0.041	12	109.4712	0.001	31	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4670	0.000	1	109.4670	0.000	1	109.7095	0.895	1275	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|N<3>,6|C<3>}	H(CC[6a]HH)	109.4825	0.067	2	109.4825	0.005	2	109.4825	0.005	2	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]As[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]As[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	H(CC[6a]HH)	109.4569	0.053	7	109.4569	0.003	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3,3,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3,3,5]C[6a])(C[6a]C[6a]H)(CH3){1|B<5>,2|C<3>,2|C<4>,2|H<2>}	H(CC[6a]HH)	109.4842	0.026	5	109.4842	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|B<5>,2|C<3>,2|H<1>,2|H<2>}	H(CC[6a]HH)	109.4571	0.060	8	109.4571	0.004	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4675	0.026	4	109.4671	0.000	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[3a]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4667	0.011	4	109.4671	0.000	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<4>,2|H<1>,2|O<2>}	H(CC[6a]HH)	109.4797	0.028	3	109.4797	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CH3){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4442	0.043	5	109.4608	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4747	0.022	6	109.4608	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<6>,2|C<4>,4|B<6>}	H(CC[6a]HH)	109.4907	0.025	4	109.4907	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4678	0.066	6	109.4678	0.004	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(CC[6a]HH)	109.4703	0.023	11	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[6a]HH)	109.4472	0.977	23	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4691	0.027	14	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4168	0.052	4	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4697	0.048	63	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4693	0.013	3	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4664	0.029	18	109.4639	0.157	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3){3|C<3>}	H(CC[6a]HH)	109.4610	0.026	6	109.4610	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|Nb<7>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4745	0.029	12	109.4809	0.002	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|Nb<9>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4937	0.070	6	109.4809	0.002	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4553	0.026	3	109.4553	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4893	0.034	3	109.4893	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[3a]C[6a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4779	0.020	10	109.4779	0.000	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]HH)	111.3172	2.441	6	111.3172	5.959	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	111.9540	1.710	6	112.1508	4.035	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	112.1760	2.059	47	112.1508	4.035	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4552	0.037	5	109.4552	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]HH)	109.4637	0.017	3	109.4738	0.000	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4840	0.022	3	109.4738	0.000	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4595	0.026	2	109.4595	0.001	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4479	0.053	9	109.4479	0.003	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4567	0.020	3	109.4588	0.000	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]HH)	109.4620	0.006	2	109.4588	0.000	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	112.5640	4.938	3	110.0437	1.979	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.9325	0.886	24	110.0437	1.979	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.9004	0.797	22	110.0437	1.979	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4647	0.046	3	110.0437	1.979	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4632	0.032	6	109.4561	0.001	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4465	0.029	6	109.4561	0.001	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4739	0.025	8	109.4561	0.001	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4392	0.026	5	109.4561	0.001	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4420	0.026	3	109.4561	0.001	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4360	0.055	3	109.4543	0.001	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4670	0.023	3	109.4543	0.001	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4625	0.009	2	109.4543	0.001	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6,6a]H)(CH3){1|O<2>,4|C<3>}	H(CC[6a]HH)	109.4633	0.026	3	109.4633	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,6|C<3>}	H(CC[6a]HH)	109.4743	0.026	3	109.4743	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CH3){5|C<3>}	H(CC[6a]HH)	109.4887	0.038	7	109.4887	0.001	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4688	0.029	6	109.4688	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4532	0.040	4	109.4532	0.002	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.3063	0.118	3	109.3063	0.014	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4705	0.885	19	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4872	0.175	282	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4733	0.031	3	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4870	0.035	2	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.5120	0.037	2	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	110.5480	1.968	3	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4742	0.026	16	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4445	0.047	6	109.4944	0.102	333	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4977	0.016	3	109.4791	0.002	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4718	0.046	6	109.4791	0.002	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4750	0.072	3	109.4791	0.002	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CH3){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HH)	113.0400	0.666	3	113.0400	0.443	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4923	0.197	361	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HH)	109.4660	0.043	3	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4393	0.010	3	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4885	0.012	2	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]HH)	109.4634	0.033	18	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.5029	0.461	8	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4853	0.093	41	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4745	0.033	14	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]HH)	109.4830	0.027	4	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	110.0957	1.547	27	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4824	0.039	26	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.5230	0.035	2	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4730	0.000	1	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4553	0.063	9	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4684	0.040	51	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4867	0.047	3	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4660	0.025	2	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4680	0.036	31	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6917	1.568	158	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|N<3>}	H(CC[6a]HH)	109.4897	0.032	3	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.7327	2.058	3	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4700	0.000	1	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4715	0.026	4	109.5498	0.628	775	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4822	0.041	6	109.4700	0.001	30	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4565	0.026	13	109.4700	0.001	30	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4793	0.030	11	109.4700	0.001	30	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]H)(C[6a]O[6a]O)(CH3){2|C<3>}	H(CC[6a]HH)	109.4648	0.033	5	109.4648	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4742	0.045	6	109.4742	0.002	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4577	0.043	3	109.4488	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4443	0.014	6	109.4488	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4811	0.030	12	109.4811	0.001	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4940	0.010	2	109.4938	0.000	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4937	0.012	3	109.4938	0.000	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4485	0.058	6	109.4661	0.002	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4350	0.014	2	109.4661	0.002	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4881	0.029	8	109.4661	0.002	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4655	0.037	12	109.4661	0.002	28	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4897	0.044	6	109.4728	0.001	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4609	0.024	15	109.4728	0.001	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4695	0.020	8	109.4728	0.001	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4902	0.048	5	109.4728	0.001	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4758	0.052	5	109.4728	0.001	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4720	0.035	12	109.4720	0.001	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,3|C<3>}	H(CC[6a]HH)	109.4610	0.045	2	109.4610	0.002	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4793	0.017	3	109.4793	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4696	0.025	11	109.4696	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4647	0.078	3	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4841	0.025	11	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.5242	0.415	105	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.5236	0.418	140	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	110.1053	1.379	13	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.8270	0.273	4	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6838	0.940	40	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4640	0.000	1	109.5696	0.332	317	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4637	0.022	7	109.4637	0.000	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|N<3>}	H(CC[6a]HH)	109.4694	0.046	8	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4689	0.026	22	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4549	0.048	24	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.7218	1.605	50	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4724	0.034	21	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4741	0.034	33	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4713	0.038	86	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|Cl<1>,2|C<3>}	H(CC[6a]HH)	109.4830	0.017	2	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4679	0.022	19	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6026	0.743	244	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4681	0.037	49	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>}	H(CC[6a]HH)	109.4750	0.020	3	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4746	0.047	16	109.5477	0.460	577	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4695	0.013	2	109.4695	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4415	0.034	4	109.4415	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]Cl)(CH3){1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4497	2.913	3	109.4497	8.486	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5407	0.068	3	109.5407	0.005	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3){1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4920	0.016	2	109.4920	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4694	0.033	9	109.4694	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4738	0.042	5	109.4738	0.002	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4387	0.022	3	109.4550	0.002	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,1|S<2>,3|C<3>}	H(CC[6a]HH)	109.4648	0.056	5	109.4550	0.002	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	H(CC[6a]HH)	109.4793	0.011	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4680	0.004	4	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(CC[6a]HH)	109.4704	0.029	8	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4647	0.029	15	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.4899	0.043	15	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(CC[6a]HH)	109.4710	0.025	8	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,2|N<2>}	H(CC[6a]HH)	109.4673	0.032	16	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4672	0.035	12	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4578	0.017	8	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|F<1>,1|H<1>,3|C<3>}	H(CC[6a]HH)	110.0860	3.464	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4933	0.047	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4810	0.006	2	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]HH)	110.5327	0.922	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4550	0.014	2	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.6203	0.621	81	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.7822	1.029	187	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.9792	0.925	11	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4860	0.020	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4750	0.033	2	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.9431	1.342	59	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4623	0.021	3	109.7139	0.852	448	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4779	0.066	113	109.4779	0.004	113	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5027	0.038	3	109.5027	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4843	0.023	3	109.4682	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]HH)	109.4696	0.028	5	109.4682	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4590	0.052	6	109.4682	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5053	0.073	9	109.5053	0.005	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5040	0.035	2	109.5004	0.001	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4990	0.026	5	109.5004	0.001	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	113.0160	2.497	3	113.0160	6.237	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	110.0646	1.820	8	109.7684	1.640	16	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4670	0.045	2	109.7684	1.640	16	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4740	0.026	6	109.7684	1.640	16	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4407	0.057	3	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	110.3336	1.868	34	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4746	0.038	8	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4753	0.010	3	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4483	0.034	3	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4580	0.008	2	110.0217	2.391	53	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4650	0.031	3	109.4650	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4686	0.028	5	109.4686	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){6|C<3>}	H(CC[6a]HH)	109.4977	0.029	3	109.4977	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4557	0.009	3	109.4557	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4730	0.000	1	109.4730	0.000	1	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4810	0.037	3	109.8250	0.555	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3){1|O<2>,4|C<3>}	H(CC[6a]HH)	110.3342	0.943	11	109.8250	0.555	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CH3){2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4442	0.045	12	109.8250	0.555	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5104	0.041	5	109.4971	0.001	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4890	0.013	2	109.4971	0.001	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4803	0.037	3	109.4971	0.001	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4715	0.116	18	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|I<2>}	H(CC[6a]HH)	109.4781	0.053	8	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	110.2435	2.263	20	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.6888	0.937	33	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	110.5152	1.676	6	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4674	0.037	9	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4712	0.034	11	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.8376	1.003	27	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4634	0.026	7	109.7500	1.295	139	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4600	0.010	2	109.4600	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4614	0.037	15	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4087	0.561	6	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|S<4>}	H(CC[6a]HH)	109.1927	1.355	6	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5831	0.740	265	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	110.3363	0.892	6	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.9908	1.183	10	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]HH)	109.4595	0.021	2	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.5036	0.316	53	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|P<3>}	H(CC[6a]HH)	109.4739	0.045	17	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]HH)	109.4510	0.024	4	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4748	0.022	4	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<3>}	H(CC[6a]HH)	109.4775	0.029	8	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4533	0.016	3	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.6356	0.946	55	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	110.0922	1.608	38	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]HH)	109.4700	0.020	7	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.5057	0.049	15	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4801	0.047	19	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]HH)	109.4673	0.046	10	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.5030	0.035	2	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,1|S<2>}	H(CC[6a]HH)	109.4838	0.037	5	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4689	0.033	57	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4713	0.024	3	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.5559	0.308	42	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|S<4>}	H(CC[6a]HH)	109.4678	0.108	6	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4461	0.039	34	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Ge<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4677	0.026	4	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4855	0.064	2	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.7390	1.261	192	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|N<3>}	H(CC[6a]HH)	109.4250	0.000	1	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4660	0.041	30	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4710	0.039	35	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>}	H(CC[6a]HH)	109.4746	0.047	27	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Se<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4720	0.039	6	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4413	0.028	3	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4903	0.020	4	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Si<4>,2|C<3>}	H(CC[6a]HH)	109.4748	0.032	21	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){1|Si<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4730	0.075	2	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4527	0.013	3	109.5953	0.642	1022	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4350	0.055	3	109.4350	0.003	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4712	0.036	108	109.4711	0.001	118	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4706	0.024	10	109.4711	0.001	118	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4780	0.047	4	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4787	0.017	3	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4743	0.037	12	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4787	0.014	3	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4838	0.030	6	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4680	0.033	2	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4732	0.034	5	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4716	0.028	5	109.4760	0.001	40	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)2(CH3){1|C<3>,2|S<2>}	H(CC[6a]HH)	109.4783	0.009	3	109.4783	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>}	H(CC[6a]HH)	109.4957	0.027	3	109.4778	0.001	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4701	0.040	7	109.4778	0.001	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4851	0.018	10	109.4802	0.001	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4850	0.031	4	109.4802	0.001	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4577	0.035	3	109.4802	0.001	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4843	0.026	7	109.4887	0.065	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4993	0.392	9	109.4887	0.065	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4723	0.014	4	109.4887	0.065	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]C)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4655	0.032	4	109.4655	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]B[6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4705	0.015	2	109.4705	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4730	0.043	3	109.4730	0.002	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[5,6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.5253	0.162	3	109.5253	0.026	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	111.7520	2.531	3	109.8412	1.528	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4617	0.018	3	109.8412	1.528	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4583	0.032	12	109.8412	1.528	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4916	0.038	14	109.5775	0.145	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.7455	0.611	13	109.5775	0.145	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4613	0.044	3	109.5775	0.145	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4720	0.016	6	109.5775	0.145	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6,6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4607	0.027	3	109.4607	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(CH3){2|C<3>}	H(CC[6a]HH)	109.4823	0.047	6	109.4823	0.002	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4970	0.019	6	109.4970	0.000	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CH3){2|C<3>}	H(CC[6a]HH)	109.4885	0.030	6	109.4885	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4780	0.011	2	109.4780	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,6|C<3>}	H(CC[6a]HH)	109.4727	0.016	3	109.4727	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){5|C<3>}	H(CC[6a]HH)	109.4703	0.028	3	109.4703	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4837	0.060	3	109.4705	0.002	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4682	0.040	17	109.4705	0.002	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){6|C<3>}	H(CC[6a]HH)	111.8157	2.840	3	111.8157	8.067	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CH3){4|C<3>}	H(CC[6a]HH)	109.4910	0.052	2	109.4910	0.003	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4700	0.032	3	109.4700	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){4|C<3>}	H(CC[6a]HH)	109.4723	0.029	3	109.4723	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4410	0.011	2	109.4809	0.002	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4898	0.044	9	109.4809	0.002	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4688	0.031	6	109.4559	0.001	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4473	0.035	9	109.4559	0.001	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CH3){1|O<2>,4|C<3>}	H(CC[6a]HH)	110.0423	1.220	15	109.9479	1.274	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CH3){5|C<3>}	H(CC[6a]HH)	109.4757	0.034	3	109.9479	1.274	18	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<2>,2|C<3>}	H(CC[6a]HH)	109.4830	0.035	12	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.5806	0.540	55	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.5016	0.464	27	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.5037	0.011	3	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4864	0.047	7	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4698	0.042	10	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4686	0.031	47	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.7836	1.184	19	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){1|Pd<4>,2|C<3>}	H(CC[6a]HH)	109.5001	0.060	17	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CH3){3|C<3>}	H(CC[6a]HH)	111.2917	1.464	3	109.5659	0.310	200	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4850	0.045	6	109.4776	0.001	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4800	0.023	3	109.4776	0.001	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4603	0.022	3	109.4776	0.001	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4659	0.026	9	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.5223	0.105	6	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4516	0.021	5	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4755	0.017	8	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4766	0.039	23	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4784	0.038	14	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4674	0.036	63	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4815	0.054	14	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4738	0.049	30	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6211	1.021	651	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4790	0.029	11	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	110.2149	1.562	14	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4380	0.015	3	109.5986	0.845	851	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4893	0.039	3	109.4767	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3){3|C<3>}	H(CC[6a]HH)	109.4640	0.017	3	109.4767	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4680	0.038	3	109.6850	0.266	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	110.3803	0.757	6	109.6850	0.266	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4683	0.053	3	109.6850	0.266	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4799	0.035	14	109.6850	0.266	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CH3){3|C<3>}	H(CC[6a]HH)	109.4637	0.019	3	109.4637	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4807	0.026	3	109.4807	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CH3){2|C<3>}	H(CC[6a]HH)	109.4695	0.019	4	109.4695	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	H(CC[6a]HH)	109.4700	0.030	3	109.4700	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CH3){2|C<3>}	H(CC[6a]HH)	109.9807	1.331	3	109.9807	1.771	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)2(CH3){3|C<3>}	H(CC[6a]HH)	109.7488	0.835	38	109.7488	0.698	38	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4723	0.022	3	110.0945	2.212	29	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	110.1663	1.557	26	110.0945	2.212	29	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4537	0.084	3	109.4537	0.007	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5030	0.035	3	109.5030	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4800	0.047	7	109.4800	0.002	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4568	0.027	6	109.4568	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4586	0.051	5	109.4586	0.003	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4890	0.006	2	109.4670	0.962	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4415	0.012	2	109.4670	0.962	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4682	1.316	6	109.4670	0.962	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4651	0.021	8	109.4651	0.000	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){3|C<3>}	H(CC[6a]HH)	109.4980	0.026	3	109.4980	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4820	0.019	3	109.4820	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CH3){2|C<3>}	H(CC[6a]HH)	109.4683	0.041	13	109.4683	0.002	13	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CH3){2|C<3>}	H(CC[6a]HH)	109.4748	0.024	5	109.4748	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CH3){2|C<3>}	H(CC[6a]HH)	109.4895	0.011	2	109.4895	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4907	0.043	23	109.4907	0.002	23	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4838	0.033	8	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4629	0.045	9	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.7338	0.850	33	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4670	0.060	74	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|O<3>,3|C<3>}	H(CC[6a]HH)	109.4927	0.039	3	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	112.2920	3.602	6	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4675	0.045	98	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4778	0.022	6	109.5769	0.576	237	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4730	0.007	3	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]HH)	110.0008	0.658	5	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4693	0.033	3	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4880	0.034	7	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4715	0.006	2	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	110.7661	2.638	11	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5700	0.897	365	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|I<3>,3|C<3>}	H(CC[6a]HH)	109.4286	0.027	5	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	110.1512	1.814	25	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4732	0.043	299	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4704	0.042	29	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4700	0.034	8	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|I<1>,3|C<3>}	H(CC[6a]HH)	109.4592	0.033	6	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4724	0.027	21	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.9666	1.327	111	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<4>,3|C<3>}	H(CC[6a]HH)	109.4733	0.027	3	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4713	0.041	49	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|P<3>,3|C<3>}	H(CC[6a]HH)	109.4674	0.027	8	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|P<4>,3|C<3>}	H(CC[6a]HH)	109.4717	0.027	15	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]HH)	109.4780	0.036	7	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]HH)	109.4728	0.045	6	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.6280	1.449	61	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.5985	0.843	54	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4553	0.030	6	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.5020	0.013	2	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Pt<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5073	0.057	3	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.5052	0.401	2362	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.3612	2.511	60	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CH3){5|C<3>}	H(CC[6a]HH)	109.4768	0.032	6	109.5321	0.454	3542	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4678	0.041	11	109.4678	0.002	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4572	0.023	5	109.4651	0.001	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4677	0.041	15	109.4651	0.001	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(CH3){2|C<2>,3|C<3>}	H(CC[6a]HH)	109.4680	0.016	3	109.4680	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4533	0.024	3	109.4700	0.001	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4800	0.022	5	109.4700	0.001	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4747	0.043	19	108.9317	4.367	25	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	107.2120	4.035	6	108.9317	4.367	25	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4650	0.037	3	109.4650	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]O[6a]C)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4825	0.022	2	109.4825	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3){1|C<3>,2|C<4>,4|N<2>}	H(CC[6a]HH)	109.4735	0.032	26	109.4640	0.006	59	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3){2|C<2>,5|C<3>}	H(CC[6a]HH)	109.3965	0.206	6	109.4640	0.006	59	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3){2|C<4>,5|C<3>}	H(CC[6a]HH)	109.4747	0.050	20	109.4640	0.006	59	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)2(CH3){7|C<3>}	H(CC[6a]HH)	109.4557	0.047	7	109.4640	0.006	59	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4773	0.022	3	109.4761	0.001	25	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4760	0.039	22	109.4761	0.001	25	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4698	0.053	82	109.4726	0.003	118	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4788	0.052	36	109.4726	0.003	118	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3){1|As<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5008	0.073	9	109.4589	0.007	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4672	0.040	10	109.4589	0.007	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.3670	0.097	5	109.4589	0.007	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4729	0.060	14	109.4725	0.002	174	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4730	0.039	130	109.4725	0.002	174	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4690	0.036	8	109.4725	0.002	174	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4594	0.034	7	109.4725	0.002	174	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4765	0.065	15	109.4725	0.002	174	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HH)	110.6599	1.397	12	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	110.2645	1.067	43	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<1>}	H(CC[6a]HH)	109.4610	0.017	3	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]HH)	109.4522	0.064	4	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6635	0.781	2270	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4331	0.435	28	109.6762	0.631	2360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4703	0.041	3	109.4703	0.002	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|I<1>,1|I<2>,2|C<4>}	H(CC[6a]HH)	109.4598	0.030	6	109.4625	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|I<2>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4658	0.030	5	109.4625	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]C)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(CC[6a]HH)	109.4813	0.027	4	109.4813	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|N<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4550	0.037	5	109.4714	0.001	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|N<4>,3|C<4>}	H(CC[6a]HH)	109.4732	0.024	32	109.4714	0.001	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4755	0.032	6	109.4714	0.001	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6,6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|O<2>}	H(CC[6a]HH)	109.4820	0.041	3	109.4820	0.002	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|I<1>,1|N<4>,2|C<4>}	H(CC[6a]HH)	109.4674	0.024	5	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4727	0.034	10	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4846	0.021	5	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4828	0.025	4	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4647	0.036	4	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[6a]HH)	109.4915	0.034	4	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|O<2>}	H(CC[6a]HH)	109.4615	0.005	2	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4703	0.014	3	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4555	0.022	4	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4705	0.015	4	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4732	0.033	6	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4735	0.061	22	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4670	0.040	185	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|N<4>,1|P<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4478	0.033	6	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4564	0.034	5	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4656	0.033	37	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4953	0.047	6	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4755	0.032	20	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4504	0.028	5	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4783	0.037	3	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4586	0.035	28	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4718	0.035	21	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|C<4>}	H(CC[6a]HH)	109.4809	0.052	7	109.4682	0.001	396	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4615	0.029	8	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4602	0.022	5	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|Cr<12>,1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4633	0.018	3	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|Fe<12>,1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4646	0.022	13	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4761	0.028	7	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4815	0.039	22	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4614	0.020	7	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4779	0.041	75	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CH3){2|Li<7>,1|C<3>,2|C<4>,2|C<5>}	H(CC[6a]HH)	109.4876	0.031	5	109.4749	0.001	145	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4870	0.033	5	109.4759	0.002	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4724	0.042	16	109.4759	0.002	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4480	0.011	2	109.4480	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4887	0.048	3	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4707	0.032	3	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4950	0.053	3	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4670	0.048	41	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4858	0.048	5	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4698	0.044	13	109.4713	0.002	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4720	0.014	3	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	111.1088	0.357	6	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4637	0.033	3	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4697	0.038	7	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4695	0.046	13	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.6383	0.993	12	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4597	0.044	4	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4633	0.057	8	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	109.4579	0.030	8	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.5380	0.086	6	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4670	0.008	2	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4818	0.044	8	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4857	0.044	3	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4700	0.039	7	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CH3){1|S<4>,2|C<3>}	H(CC[6a]HH)	109.4797	0.018	3	109.6013	0.288	93	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4614	0.052	8	109.4614	0.003	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	111.0397	2.123	3	111.0397	4.509	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4758	0.032	35	109.4713	0.001	51	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4696	0.022	5	109.4713	0.001	51	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4760	0.038	4	109.4713	0.001	51	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3){1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4960	0.014	2	109.4713	0.001	51	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)2(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4274	0.041	5	109.4713	0.001	51	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4807	0.023	3	109.4807	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4735	0.041	8	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4712	0.038	91	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4620	0.013	2	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4727	0.039	20	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<5>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4797	0.045	10	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4253	0.070	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4740	0.011	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4533	0.121	30	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4576	0.024	5	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5788	0.569	30	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.6600	0.983	492	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HH)	109.2980	0.860	6	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4716	0.022	7	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4603	0.071	34	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.6136	0.510	67	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<3>}	H(CC[6a]HH)	109.4637	0.073	6	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4622	0.035	4	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.4928	0.026	5	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|I<2>}	H(CC[6a]HH)	110.4973	1.295	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.7497	1.004	96	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.5488	0.559	620	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	109.4577	0.063	36	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.5606	0.400	116	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]HH)	109.4514	0.032	9	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.6585	0.501	19	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	110.0063	0.734	7	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]HH)	109.4172	0.056	8	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4006	0.248	17	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4903	0.028	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]HH)	109.4785	0.046	11	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4830	0.006	2	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4997	0.024	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5598	0.733	1995	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5428	1.072	1176	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.6849	0.657	48	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4537	0.020	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<2>}	H(CC[6a]HH)	109.4701	0.018	7	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	H(CC[6a]HH)	109.4641	0.033	23	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4630	0.037	15	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4734	0.051	86	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	108.9912	0.656	16	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6024	1.045	215	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4659	0.050	25	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Ir<7>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4915	0.042	4	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(CC[6a]HH)	110.8443	4.100	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|N<2>,2|H<1>}	H(CC[6a]HH)	109.4790	0.052	37	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4835	0.017	6	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4655	0.008	2	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4753	0.029	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4920	0.048	22	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4839	0.037	26	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4860	0.042	11	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Rh<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4695	0.035	4	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Rh<5>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4561	0.039	16	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4537	0.067	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4915	0.023	2	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Sb<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4575	0.039	11	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Sb<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4892	0.051	6	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Sb<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4650	0.048	8	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4398	0.020	6	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Se<2>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4678	0.033	5	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4810	0.033	5	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){2|Se<2>,1|N<2>}	H(CC[6a]HH)	109.5080	0.023	3	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4748	0.032	5	109.5599	0.641	5570	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.7078	0.785	6	109.5873	0.297	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4668	0.041	6	109.5873	0.297	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4631	0.045	12	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4703	0.038	15	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4872	0.040	13	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.8299	1.427	48	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]HH)	109.4835	0.080	17	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4400	0.037	6	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4767	0.036	6	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4353	0.022	3	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4615	0.029	8	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5470	0.746	280	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4489	0.055	8	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4850	0.016	2	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4927	0.121	6	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4780	0.027	2	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4590	0.065	2	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){2|Br<1>,1|C<3>}	H(CC[6a]HH)	109.4403	0.041	3	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){3|C<3>}	H(CC[6a]HH)	109.4625	0.011	2	109.5595	0.592	433	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4755	0.045	11	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	111.5299	2.729	15	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4754	0.022	35	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4872	0.017	5	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4570	0.010	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4594	0.036	18	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4933	0.012	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|N<2>,2|H<1>}	H(CC[6a]HH)	112.1017	0.586	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4640	0.026	4	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4623	0.022	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){2|Br<1>,1|C<3>}	H(CC[6a]HH)	109.4880	0.027	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4333	0.022	3	109.8367	1.669	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(CH3){1|C<3>,1|C<4>,1|P<2>}	H(CC[6a]HH)	109.4710	0.017	4	109.4710	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5023	0.038	3	109.4671	0.002	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4562	0.025	5	109.4671	0.002	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4585	0.058	6	109.4671	0.002	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4670	0.017	3	109.4671	0.002	17	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4398	0.051	5	109.4487	0.002	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4800	0.000	1	109.4487	0.002	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CH3){1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4530	0.023	3	109.4487	0.002	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4670	0.016	3	109.4670	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5558	0.464	69	109.6124	0.288	74	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<2>}	H(CC[6a]HH)	109.4695	0.008	2	109.6124	0.288	74	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CH3){1|C<3>,1|O<2>}	H(CC[6a]HH)	111.0100	0.345	3	109.6124	0.288	74	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|B<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4585	0.059	41	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4706	0.061	14	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4788	0.050	31	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4775	0.036	55	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4880	0.029	5	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4654	0.036	11	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4701	0.046	13	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	109.4795	0.058	4	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.9861	1.210	15	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]HH)	109.4560	0.048	3	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6909	0.875	1245	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.6655	0.569	35	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.8674	1.077	213	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4675	0.023	2	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4700	0.019	7	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4527	0.013	3	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(CH3){1|S<2>,2|C<3>}	H(CC[6a]HH)	109.4787	0.031	3	109.6903	0.734	1700	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4760	0.020	2	109.4760	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(CC[6a]HH)	109.4696	0.034	5	109.4780	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4873	0.038	9	109.4780	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4726	0.038	8	109.4780	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|N<3>,2|C<4>}	H(CC[6a]HH)	109.4780	0.049	2	109.4780	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(CC[6a]HH)	109.4620	0.034	2	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(CC[6a]HH)	109.4580	0.031	10	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4540	0.049	8	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4775	0.016	2	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]HH)	109.4973	0.046	3	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<3>,5|C<4>}	H(CC[6a]HH)	109.4765	0.032	49	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4797	0.029	3	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|Co<9>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4822	0.023	4	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4705	0.006	2	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	111.2847	2.708	6	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4727	0.026	6	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4757	0.049	10	109.5766	0.532	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CH3){1|Fe<10>,1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4710	0.031	4	109.4710	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CH3){1|Fe<10>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4710	0.054	2	109.4710	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|N<3>,2|C<4>}	H(CC[6a]HH)	109.4658	0.034	5	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	H(CC[6a]HH)	109.4800	0.021	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[6a]HH)	109.4740	0.038	6	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]HH)	109.4822	0.033	12	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(CC[6a]HH)	109.4730	0.018	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]HH)	109.4751	0.029	16	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	H(CC[6a]HH)	109.4820	0.010	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]HH)	109.9850	0.824	6	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(CC[6a]HH)	109.4891	0.037	8	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4754	0.089	17	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(CC[6a]HH)	109.4903	0.058	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,3|C<4>}	H(CC[6a]HH)	109.4779	0.049	18	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(CC[6a]HH)	109.4640	0.021	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,1|P<2>,2|C<4>}	H(CC[6a]HH)	109.4652	0.036	4	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<2>,1|S<2>,2|C<4>}	H(CC[6a]HH)	109.4835	0.031	4	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4801	0.062	11	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4705	0.033	19	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]HH)	109.4774	0.037	5	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4847	0.039	11	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4719	0.029	7	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4195	0.043	8	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4763	0.032	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[6a]HH)	110.8057	0.995	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]HH)	109.5060	0.058	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4477	0.023	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4845	0.019	8	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4616	0.031	13	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4735	0.362	38	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4818	0.041	18	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,1|S<2>}	H(CC[6a]HH)	109.4794	0.048	10	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Ir<7>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]HH)	109.4764	0.049	23	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Li<7>,1|C<3>,1|C<5>,3|C<4>}	H(CC[6a]HH)	109.5097	0.463	6	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	110.5837	1.999	19	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4987	0.090	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4643	0.478	151	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4720	0.035	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.5005	0.039	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4805	0.037	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4808	0.054	5	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4343	0.024	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|U<15>,1|C<3>,1|N<3>,3|C<4>}	H(CC[6a]HH)	109.5090	0.023	6	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){1|Zr<12>,1|C<3>,4|C<4>}	H(CC[6a]HH)	109.5020	0.024	3	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4882	0.045	11	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.8523	1.089	161	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4634	0.022	13	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4560	0.030	2	109.6037	0.514	681	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(CH3){1|O<2>,4|C<3>}	H(CC[6a]HH)	109.4650	0.016	3	109.4650	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|B<3>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4615	0.040	6	109.4632	0.003	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|I<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4580	0.065	5	109.4632	0.003	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4593	0.044	3	109.4632	0.003	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4277	0.028	3	109.4632	0.003	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4802	0.059	9	109.4632	0.003	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4367	0.033	6	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4342	0.044	10	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4859	0.047	19	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]HH)	110.7254	2.338	24	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]HH)	109.4752	0.023	9	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4748	0.020	4	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4863	0.010	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[6a]HH)	109.4631	0.030	10	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4965	0.030	2	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4706	0.022	5	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4676	0.043	58	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4745	0.041	28	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	113.4027	3.129	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4817	0.044	37	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4705	0.005	2	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	H(CC[6a]HH)	109.4742	0.044	4	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4560	0.071	5	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4860	0.035	7	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4845	0.046	6	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4687	0.027	6	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4772	0.020	6	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4930	0.018	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4744	0.086	20	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4785	0.037	2	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4794	0.043	22	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4745	0.033	2	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4953	0.010	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.6691	1.015	432	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4990	0.012	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4760	0.018	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4731	0.028	7	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	H(CC[6a]HH)	109.4723	0.032	6	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4777	0.026	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4427	0.010	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4545	0.011	2	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4827	0.017	3	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4598	0.080	20	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.5875	0.553	524	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4649	0.051	39	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	H(CC[6a]HH)	109.4556	0.025	9	109.6097	0.612	1360	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(CH3){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.4760	0.020	5	109.4760	0.000	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4597	0.032	16	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4715	0.040	26	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<3>}	H(CC[6a]HH)	109.4670	0.023	3	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	108.7833	0.424	6	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4350	0.041	3	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4733	0.013	3	109.3937	0.062	57	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5147	0.071	3	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4721	0.031	28	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4552	0.041	29	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	109.4702	0.045	4	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	110.2593	1.541	30	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4320	0.056	3	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	110.9040	2.632	6	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.6634	0.784	54	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.7723	0.340	6	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4470	0.021	2	109.7376	0.967	165	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4730	0.033	4	109.9850	2.514	103	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	110.0057	1.614	99	109.9850	2.514	103	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4857	0.047	3	109.4695	0.002	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4533	0.028	3	109.4695	0.002	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4810	0.010	3	109.5532	0.106	41	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4667	0.027	26	109.5532	0.106	41	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cl)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.7588	0.565	12	109.5532	0.106	41	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5392	0.157	21	109.5392	0.025	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4740	0.058	6	109.4740	0.003	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4710	0.277	6	109.6503	0.445	49	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4710	0.021	3	109.6503	0.445	49	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5029	0.103	16	109.6503	0.445	49	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.9669	1.066	17	109.6503	0.445	49	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4493	0.047	7	109.6503	0.445	49	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	111.4917	0.259	3	111.4917	0.067	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]F)2(CH3){1|C<3>,2|F<1>}	H(CC[6a]HH)	109.4737	0.031	3	109.4737	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	110.4525	1.865	67	110.4086	3.372	70	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4293	0.066	3	110.4086	3.372	70	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4711	0.039	19	109.4711	0.002	19	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga[4])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4652	0.033	11	109.4652	0.001	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4757	0.056	6	109.4757	0.003	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6a]HH)	109.4630	0.004	2	109.4609	0.035	82	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4570	0.171	74	109.4609	0.035	82	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5090	0.365	6	109.4609	0.035	82	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3){1|Ir<8>,1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.5005	0.032	2	109.4739	0.001	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4833	0.020	7	109.4739	0.001	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4631	0.039	11	109.4739	0.001	20	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4620	0.027	14	109.4620	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4604	0.038	7	109.4604	0.001	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|As<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4450	0.012	3	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4828	0.051	11	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4694	0.034	5	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.4722	0.041	15	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.3151	0.473	47	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5233	0.053	3	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5665	0.582	21	109.4224	0.175	105	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4636	0.062	83	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4843	0.037	9	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|I<1>}	H(CC[6a]HH)	109.4853	0.013	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	110.5953	2.361	12	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HH)	109.4755	0.057	11	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5346	0.491	6115	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HH)	109.4586	0.063	29	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<1>}	H(CC[6a]HH)	109.4452	0.051	10	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.4883	0.019	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4779	0.034	45	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4748	0.031	23	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|P<3>}	H(CC[6a]HH)	109.4639	0.031	9	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]HH)	109.4602	0.021	11	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<5>,1|H<1>}	H(CC[6a]HH)	109.5110	0.061	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HH)	109.4760	0.033	8	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.4613	0.055	16	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	110.0601	1.173	14	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.7925	1.260	101	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	112.2641	1.866	9	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.6222	0.618	47	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]HH)	109.4735	0.028	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4664	0.036	14	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|N<3>,1|S<3>}	H(CC[6a]HH)	109.4675	0.036	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5979	0.690	3791	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<7>}	H(CC[6a]HH)	109.4683	0.008	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.6542	0.934	925	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4700	0.013	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	110.2858	1.660	115	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4479	0.046	7	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4708	0.034	5	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|S<3>}	H(CC[6a]HH)	109.4790	0.008	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4817	0.021	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4853	0.047	6	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,2|C<3>}	H(CC[6a]HH)	109.4582	0.036	6	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ga<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4870	0.044	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4751	0.030	24	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.7424	1.201	121	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4487	0.065	10	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<2>,2|H<1>}	H(CC[6a]HH)	109.4634	0.056	5	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4730	0.057	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<4>,2|C<3>}	H(CC[6a]HH)	109.4720	0.006	2	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Os<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5040	0.043	3	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4752	0.063	20	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	110.4100	1.288	6	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ru<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4733	0.054	7	109.5789	0.432	11647	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4968	0.056	13	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<4>,1|N<2>}	H(CC[6a]HH)	110.4115	0.642	6	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6a]HH)	109.4558	0.017	6	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5068	0.400	681	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	110.1670	1.237	41	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4803	0.030	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4768	0.032	25	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|P<3>}	H(CC[6a]HH)	110.2922	2.232	28	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]HH)	109.4854	0.050	11	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|S<3>}	H(CC[6a]HH)	109.4706	0.032	5	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.4617	0.016	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.9533	0.902	11	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	110.0098	0.996	50	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.8872	1.176	101	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.4470	0.036	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6058	0.732	747	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5781	0.552	193	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4695	0.006	2	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.5962	0.733	186	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4762	0.035	4	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.7246	0.757	14	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4970	0.054	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.6276	0.750	282	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4283	0.075	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4710	0.034	2	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4947	0.019	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4615	0.005	2	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4890	0.073	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4857	0.013	3	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4733	0.050	30	109.6126	0.520	2464	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4772	0.037	11	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6a]HH)	109.4730	0.017	2	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4743	0.038	93	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4827	0.040	8	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.4620	0.042	20	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6063	0.756	1426	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.6628	0.975	571	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4530	0.023	3	109.6128	0.638	2134	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.6166	1.407	430	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4767	0.040	3	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4462	0.025	5	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	111.7955	2.792	2	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4852	0.038	15	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.4570	0.008	2	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6830	1.062	476	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4482	1.668	191	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4898	0.050	6	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4772	0.036	43	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4567	0.060	14	109.6092	1.636	1187	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<2>,1|C<3>}	H(CC[6a]HH)	109.4537	0.045	3	109.9027	2.201	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.9583	1.665	34	109.9027	2.201	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CH3){1|C<3>,1|N<3>}	H(CC[6a]HH)	109.8117	0.199	6	109.9027	2.201	43	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|Br<1>,1|C<3>}	H(CC[6a]HH)	109.4810	0.021	2	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<2>,1|C<3>}	H(CC[6a]HH)	109.4367	0.027	3	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	110.0323	1.518	72	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.6180	0.761	148	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<2>}	H(CC[6a]HH)	109.4519	0.024	8	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,1|N<3>}	H(CC[6a]HH)	109.4727	0.033	8	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.7151	0.371	8	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4770	0.016	2	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){1|N<3>,1|O<1>}	H(CC[6a]HH)	111.2100	0.501	3	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CH3){2|C<3>}	H(CC[6a]HH)	109.4712	0.032	16	109.7270	0.996	270	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.5127	0.031	3	109.5127	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4643	0.035	3	109.9039	2.114	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4883	0.052	17	109.9039	2.114	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	H(CC[6a]HH)	111.3012	2.741	6	109.9039	2.114	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4683	0.015	3	109.4655	0.000	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4627	0.013	3	109.4655	0.000	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	110.1750	4.363	3	110.1750	19.031	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Au<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4967	0.043	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Au<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4609	0.048	29	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4771	0.036	8	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|B<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	110.2252	2.131	101	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|B<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4564	0.039	8	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4438	0.028	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.8851	1.279	38	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Br<1>,2|C<3>}	H(CC[6a]HH)	109.4697	0.037	10	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.5100	0.033	2	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.6251	0.460	28	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.9407	1.302	24	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<2>,1|C<3>,1|P<4>}	H(CC[6a]HH)	109.4357	0.056	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<2>,2|C<3>}	H(CC[6a]HH)	109.4555	0.042	11	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6a]HH)	109.4650	0.056	20	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HH)	109.4705	0.019	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.5765	0.726	1100	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HH)	109.4751	0.060	20	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|I<3>}	H(CC[6a]HH)	109.4597	0.057	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]HH)	109.6888	1.144	79	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.7041	0.883	1088	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]HH)	109.4775	0.046	35	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.5579	0.586	145	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|O<3>}	H(CC[6a]HH)	109.4703	0.117	24	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|P<3>}	H(CC[6a]HH)	109.4678	0.038	49	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]HH)	109.4743	0.046	194	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|P<5>}	H(CC[6a]HH)	109.4613	0.064	18	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HH)	110.3422	4.990	89	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|S<3>}	H(CC[6a]HH)	109.4709	0.036	19	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]HH)	109.5058	0.066	16	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HH)	109.4683	0.014	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	109.5084	0.408	18	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.8305	1.297	119	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.6450	0.863	709	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HH)	109.7177	1.396	81	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.6017	0.790	303	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]HH)	109.6415	0.520	27	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.6445	0.951	684	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4734	0.040	58	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]HH)	109.4684	0.029	29	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]HH)	109.8056	1.746	67	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HH)	110.1450	0.673	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,1|N<3>,1|S<4>}	H(CC[6a]HH)	109.4533	0.013	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|C<2>}	H(CC[6a]HH)	109.4860	0.026	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.5637	0.664	17761	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|F<1>}	H(CC[6a]HH)	109.4577	0.037	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5459	0.717	32331	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|I<1>}	H(CC[6a]HH)	109.4260	0.034	5	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|N<3>}	H(CC[6a]HH)	109.4611	2.156	23	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	110.3164	1.488	220	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<3>,2|S<4>}	H(CC[6a]HH)	110.9128	1.694	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4688	0.021	23	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4684	0.033	22	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4844	0.192	15	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.5289	0.872	902	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|C<7>,2|N<2>}	H(CC[6a]HH)	112.6360	1.435	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ca<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4808	0.059	5	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.2801	0.376	21	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Cl<1>,2|C<3>}	H(CC[6a]HH)	109.5003	0.016	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ga<3>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4610	0.021	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ga<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4684	0.068	9	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ge<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4646	0.497	18	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4689	0.032	62	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,1|N<2>,1|O<2>}	H(CC[6a]HH)	109.4542	0.050	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,1|N<2>,1|P<3>}	H(CC[6a]HH)	109.4533	0.008	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,1|N<2>,1|P<4>}	H(CC[6a]HH)	109.4518	0.027	14	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.7355	1.165	20	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.5933	0.683	1099	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4859	0.024	8	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ir<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4330	0.085	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5418	0.403	89	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4770	0.054	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4682	0.028	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|N<2>,2|C<4>}	H(CC[6a]HH)	110.1102	0.993	58	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|N<2>,2|H<1>}	H(CC[6a]HH)	109.5165	0.562	115	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|N<2>,2|N<3>}	H(CC[6a]HH)	109.4690	0.006	2	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4740	0.030	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4726	0.029	26	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|O<2>,2|C<3>}	H(CC[6a]HH)	109.4759	0.023	7	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Os<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4969	0.098	16	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Os<7>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4636	0.041	14	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4546	0.047	5	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5579	0.426	59	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pt<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4527	0.047	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.3431	0.196	34	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4735	0.047	49	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pt<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4882	0.052	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Pt<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4697	0.029	22	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Rh<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4200	0.072	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Rh<8>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4699	0.065	11	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ru<6>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.5140	0.027	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ru<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4763	0.039	18	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ru<8>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4620	0.052	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ru<9>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4923	0.055	17	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|S<3>,2|C<3>}	H(CC[6a]HH)	109.5025	0.022	2	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Sb<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4625	0.060	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4857	0.046	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Se<3>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4682	0.034	11	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4638	0.054	18	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4832	0.031	19	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Si<4>,2|C<3>}	H(CC[6a]HH)	109.4694	0.036	21	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Si<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4500	0.039	5	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Sn<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4690	0.050	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Sn<5>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.3978	0.087	6	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){1|Ta<11>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4783	0.020	4	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){2|Br<1>,1|C<3>}	H(CC[6a]HH)	109.4747	0.029	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){2|Os<7>,1|C<3>}	H(CC[6a]HH)	109.4780	0.025	2	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){2|Se<2>,1|N<2>}	H(CC[6a]HH)	109.4393	0.034	3	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(CH3){3|C<3>}	H(CC[6a]HH)	109.6206	1.831	442	109.5648	0.584	59006	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Hg)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Hg)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]HH)	109.4874	0.041	5	109.4874	0.002	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4751	0.101	55	109.4704	0.009	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4607	0.044	7	109.4704	0.009	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4383	0.037	6	109.4704	0.009	68	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]In[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]In[4])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|P<4>}	H(CC[6a]HH)	109.4690	0.068	7	109.4690	0.005	7	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HH)	109.4782	0.032	11	109.4658	0.002	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4688	0.041	6	109.4658	0.002	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4270	0.067	4	109.4658	0.002	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4679	0.235	45	109.4679	0.055	45	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4043	0.512	10	109.4043	0.263	10	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	113.6223	0.605	3	113.6223	0.366	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4800	0.014	3	109.4800	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4820	0.023	3	109.4705	0.133	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4590	0.577	3	109.4705	0.133	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4523	0.034	3	109.4523	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4653	0.094	3	109.4653	0.009	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	108.6412	0.791	5	109.8131	1.440	175	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]HH)	112.0410	1.340	3	109.8131	1.440	175	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.6650	0.258	6	109.8131	1.440	175	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.7603	1.264	52	109.8131	1.440	175	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.8389	1.141	109	109.8131	1.440	175	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4618	0.160	161	109.4623	0.023	178	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){1|Nb<5>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4542	0.036	6	109.4623	0.023	178	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){2|Ga<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4748	0.037	6	109.4623	0.023	178	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CH3){2|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4734	0.044	5	109.4623	0.023	178	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|As<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4789	0.055	9	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4658	0.021	12	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4744	0.047	5	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4729	0.026	10	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4583	0.022	6	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	H(CC[6a]HH)	109.6601	0.915	39	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|P<3>}	H(CC[6a]HH)	109.4830	0.026	7	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4705	0.026	6	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4659	0.113	18	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4788	0.029	5	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4641	0.032	7	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4764	0.056	9	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	112.0642	1.509	24	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4499	0.054	11	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CH3){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4872	0.036	11	109.8596	1.237	179	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4640	0.016	2	109.4640	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4690	0.004	2	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4907	0.029	4	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4588	0.054	13	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.5027	0.014	3	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4734	0.043	8	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4770	0.037	3	109.4725	0.002	33	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4913	0.030	3	109.4913	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4644	0.049	5	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4843	0.022	4	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4736	0.028	8	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4990	0.024	2	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4866	0.042	9	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4653	0.013	6	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4589	0.045	7	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.6836	0.868	73	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[6a]HH)	109.4801	0.022	8	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<2>,3|C<4>}	H(CC[6a]HH)	109.4678	0.023	6	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	H(CC[6a]HH)	110.4675	1.104	64	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	H(CC[6a]HH)	110.2263	1.081	42	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4630	0.054	21	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4969	0.193	18	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	H(CC[6a]HH)	109.4715	0.032	14	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]HH)	109.4691	0.028	14	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]HH)	109.4510	0.038	3	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4728	0.049	282	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4690	0.027	23	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4823	0.037	6	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4490	0.211	12	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.7718	1.093	22	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4494	0.231	12	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4498	0.022	5	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4663	0.044	11	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HH)	109.6012	0.713	39	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4777	0.041	33	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4753	0.033	23	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|In<6>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4702	0.056	9	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4693	0.061	14	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.6986	1.248	180	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4737	0.049	4	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4591	0.032	9	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4790	0.044	33	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4774	0.035	39	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Pd<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]HH)	109.2500	0.123	3	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4423	0.012	3	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4795	0.025	6	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4844	0.037	5	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4748	0.024	4	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<5>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4796	0.036	9	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.5173	0.402	1697	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.5243	0.454	5153	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4786	0.032	35	109.5359	0.242	7975	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4936	0.033	5	109.4936	0.001	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4653	0.031	3	109.4653	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4563	0.022	3	109.4563	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4750	0.045	5	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4724	0.047	49	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4651	0.047	11	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4515	0.052	11	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4718	0.036	12	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]HH)	109.4581	0.037	9	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4595	0.041	39	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4813	0.028	4	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4677	0.032	6	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4044	0.251	8	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4945	0.037	2	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.8899	1.139	68	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4715	0.028	16	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.5555	0.436	82	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4847	0.042	3	109.5764	0.346	325	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]HH)	109.4762	0.030	9	109.4762	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.6443	0.417	15	109.6096	0.140	19	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4795	0.021	4	109.6096	0.140	19	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|B<3>,2|H<1>}	H(CC[6a]HH)	109.4535	0.034	4	109.4535	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4803	0.046	16	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4743	0.017	12	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4573	0.038	12	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4752	0.030	5	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|N<2>,2|C<4>}	H(CC[6a]HH)	109.4728	0.050	6	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<3>,1|P<4>,2|C<4>}	H(CC[6a]HH)	109.4673	0.033	6	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.7504	0.945	47	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4887	0.063	6	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	H(CC[6a]HH)	110.1141	1.028	21	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4665	0.050	14	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	H(CC[6a]HH)	109.4742	0.055	25	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.4795	0.011	2	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]HH)	109.4820	0.024	4	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|B<3>,2|C<4>}	H(CC[6a]HH)	109.4500	0.034	4	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4795	0.022	8	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HH)	109.4783	0.039	3	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4750	0.028	27	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.9794	1.303	45	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4707	0.036	12	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4796	0.036	8	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4759	0.055	9	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ga<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4705	0.053	43	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4665	0.045	15	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4828	0.023	6	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<2>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4572	0.022	5	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4869	0.042	14	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4753	0.037	27	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4630	0.043	33	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4599	0.039	8	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|In<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4703	0.007	3	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Nb<5>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4610	0.059	10	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4556	0.045	19	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4774	0.065	10	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	H(CC[6a]HH)	109.5697	0.631	484	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4658	0.040	211	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4790	0.010	3	109.5523	0.297	1183	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){5|C<3>}	H(CC[6a]HH)	109.4790	0.025	3	109.4790	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	110.8442	1.373	5	110.8442	1.885	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<2>,3|C<3>}	H(CC[6a]HH)	109.4789	0.039	24	109.4789	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4733	0.028	6	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4707	0.028	8	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4817	0.016	3	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4748	0.024	13	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|Br<1>,3|C<3>}	H(CC[6a]HH)	109.6767	0.690	6	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.8276	1.118	52	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4816	0.027	12	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CH3){4|C<3>}	H(CC[6a]HH)	109.7270	0.809	6	109.6741	0.689	106	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4590	0.043	3	109.4590	0.002	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4740	0.040	5	109.4740	0.002	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CH3){3|C<3>}	H(CC[6a]HH)	109.4440	0.008	2	109.4440	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4677	0.017	3	109.4677	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[6a])(C[6a]O[6a]O)(CH3){3|C<3>}	H(CC[6a]HH)	109.4605	0.050	2	109.4605	0.003	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3){1|C<1>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4750	0.042	2	109.4673	0.012	71	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HH)	109.4623	0.024	3	109.4673	0.012	71	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.3180	0.101	3	109.4673	0.012	71	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4794	0.139	38	109.4673	0.012	71	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4666	0.033	25	109.4673	0.012	71	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.7286	0.713	22	109.8891	0.957	34	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	110.4251	1.466	9	109.8891	0.957	34	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4587	0.047	3	109.8891	0.957	34	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.6805	0.601	22	109.6805	0.361	22	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4716	0.040	26	109.4716	0.002	26	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4756	0.035	18	109.4772	0.001	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4870	0.028	3	109.4772	0.001	21	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4497	0.034	3	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4733	0.053	3	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4758	0.053	249	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4747	0.024	119	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4746	0.026	13	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]HH)	109.4393	0.019	3	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	110.5349	1.907	25	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){2|Pd<4>,1|C<3>}	H(CC[6a]HH)	109.4370	0.043	3	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)2(CH3){3|C<3>}	H(CC[6a]HH)	109.4870	0.018	3	109.5377	0.273	421	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CH3){2|In<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4660	0.057	5	109.4660	0.003	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	H(CC[6a]HH)	109.4850	0.021	4	109.4850	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.4760	0.000	1	109.4760	0.000	1	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CH3){1|C<2>,3|C<3>}	H(CC[6a]HH)	109.4827	0.023	3	109.4827	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4464	0.082	8	109.4644	0.003	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4696	0.051	28	109.4644	0.003	36	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4709	0.044	47	109.4704	0.002	65	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4912	0.053	6	109.4704	0.002	65	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4577	0.068	12	109.4704	0.002	65	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|Al<5>,2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4644	0.059	5	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4538	0.057	10	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4853	0.044	7	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4703	0.036	105	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4735	0.045	22	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4493	0.035	9	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4680	0.024	6	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4753	0.043	16	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4656	0.048	28	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4734	0.041	8	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4783	0.032	4	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	H(CC[6a]HH)	109.4824	0.028	10	109.4699	0.002	230	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4626	0.035	8	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(CC[6a]HH)	109.4770	0.042	14	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4548	0.050	9	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4734	0.031	9	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|S<1>,2|C<3>,3|C<4>}	H(CC[6a]HH)	109.4665	0.040	11	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){1|S<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4702	0.040	16	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	H(CC[6a]HH)	109.4652	0.043	49	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4735	0.005	2	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|C<4>}	H(CC[6a]HH)	109.4613	0.039	18	109.4664	0.002	136	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4732	0.055	53	109.5051	0.096	84	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HH)	109.4648	0.050	6	109.5051	0.096	84	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4429	0.035	9	109.5051	0.096	84	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.6612	0.698	16	109.5051	0.096	84	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pd)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4567	0.034	3	109.4567	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.5210	0.006	2	109.4713	0.002	60	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4588	0.023	5	109.4713	0.002	60	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HH)	109.4707	0.017	3	109.4713	0.002	60	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4867	0.047	29	109.4713	0.002	60	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4483	0.051	21	109.4713	0.002	60	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4568	0.054	5	109.4568	0.003	5	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4636	0.050	9	109.4636	0.002	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]S)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]S)2(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4740	0.012	4	109.4740	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.6681	0.528	120	109.6598	0.267	126	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4943	0.102	6	109.6598	0.267	126	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4830	0.004	2	109.4830	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4701	0.039	12	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HH)	109.4814	0.022	5	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HH)	109.4657	0.047	3	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4661	0.058	108	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4560	0.035	2	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	H(CC[6a]HH)	109.4650	0.030	3	109.4669	0.003	133	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	H(CC[6a]HH)	109.4860	0.025	3	109.8656	1.140	469	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4705	0.048	11	109.8656	1.140	469	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.8777	1.082	455	109.8656	1.140	469	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CH3){1|Mo<9>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4892	0.014	4	109.4892	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.5023	0.080	6	109.4697	0.002	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,2|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4673	0.026	9	109.4697	0.002	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){1|Li<6>,1|C<3>,4|C<4>}	H(CC[6a]HH)	109.4690	0.058	9	109.4697	0.002	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(CC[6a]HH)	109.4584	0.039	15	109.4697	0.002	39	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4669	0.041	19	109.4635	0.005	82	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4624	0.080	63	109.4635	0.005	82	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4732	0.042	27	109.4742	0.002	116	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4743	0.049	76	109.4742	0.002	116	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.4752	0.042	13	109.4742	0.002	116	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4753	0.040	12	109.4753	0.002	12	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.4565	0.185	6	109.4565	0.034	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4535	0.015	2	109.4535	0.000	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	112.9557	2.301	3	112.9557	5.296	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	108.9823	0.467	3	108.9823	0.218	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>}	H(CC[6a]HH)	109.4577	0.028	3	109.4577	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|N<2>}	H(CC[6a]HH)	109.4530	0.030	2	109.4530	0.001	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4997	0.036	3	109.4847	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4880	0.027	2	109.4847	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4893	0.014	3	109.4847	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4738	0.044	6	109.4847	0.001	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HH)	109.4848	0.042	6	109.4768	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4712	0.032	13	109.4768	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4818	0.018	5	109.4768	0.001	24	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	H(CC[6a]HH)	109.4669	0.019	8	109.4669	0.000	8	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(CC[6a]HH)	109.4707	0.018	3	109.4746	0.002	45	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4765	0.040	37	109.4746	0.002	45	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|P<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4632	0.044	5	109.4746	0.002	45	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4933	0.017	3	109.4933	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4758	0.016	4	109.4758	0.000	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4457	0.027	3	109.4400	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]H)(CH3){3|C<3>}	H(CC[6a]HH)	109.4343	0.036	3	109.4400	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4690	0.032	7	109.4643	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4480	0.033	2	109.4643	0.001	9	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4644	0.045	11	109.4656	0.002	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>}	H(CC[6a]HH)	109.4703	0.045	3	109.4656	0.002	14	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CH3){1|C<3>}	H(CC[6a]HH)	109.4763	0.026	3	109.4763	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)2(CH3){1|C<3>}	H(CC[6a]HH)	109.4680	0.019	3	109.4680	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)(CH3){1|Fe<10>,1|C<3>,3|C<4>}	H(CC[6a]HH)	109.4653	0.031	6	109.4653	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4790	0.014	3	109.4790	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]HH)	109.4770	0.015	3	109.4770	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Cl)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Cl)2(CH3){1|C<3>}	H(CC[6a]HH)	109.4823	0.035	3	109.4823	0.001	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4767	0.013	3	109.4767	0.000	3	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HH)	109.6636	1.079	271	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4832	0.133	9	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4775	0.036	46	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	H(CC[6a]HH)	109.5874	0.534	31	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CC[6a]HH)	109.4651	0.034	9	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4675	0.040	10	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CC[6a]HH)	109.4668	0.039	5	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CH3){1|Rh<6>,1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4650	0.042	6	109.6159	0.843	387	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	H(CC[6a]HH)	109.3433	0.153	6	109.5258	0.223	46	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CC[6a]HH)	109.5532	0.498	40	109.5258	0.223	46	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4804	0.027	5	109.7845	0.508	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)2(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)2(CH3){3|C<3>}	H(CC[6a]HH)	109.9365	0.844	10	109.7845	0.508	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4770	0.028	6	109.4770	0.001	6	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	H(CC[6a]HH)	109.4767	0.025	4	109.4767	0.001	4	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4841	0.035	12	109.4810	0.002	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3){2|H<1>,2|O<2>,3|C<3>}	H(CC[6a]HH)	109.4687	0.068	3	109.4810	0.002	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HH)	109.4355	0.036	2	109.4355	0.001	2	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[3,4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[3,4,4]C[6a])(C[6a]C[6a]H)(CH3){3|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4621	0.057	15	109.4621	0.003	15	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4819	0.052	16	109.4718	0.002	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Ge<4>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4746	0.049	11	109.4718	0.002	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Si<3>,2|C<3>,2|C<4>}	H(CC[6a]HH)	109.4643	0.053	15	109.4718	0.002	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CH3){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]HH)	109.4639	0.040	10	109.4718	0.002	52	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]2)(H)3	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CH3){3|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]HH)	109.4697	0.050	11	109.4697	0.003	11	109.5744	0.555	114731	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[5a,6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3){1|N<2>,6|C<3>}	H(CC[6a]HH)	109.4310	0.032	3	109.4310	0.001	3	109.4310	0.001	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4347	0.043	3	109.4347	0.002	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4767	0.023	3	109.4767	0.001	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4683	0.035	3	109.4683	0.001	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4656	0.053	5	109.4656	0.003	5	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.5107	0.017	3	109.5107	0.000	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.4285	0.021	2	109.4807	0.003	11	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4923	0.051	9	109.4807	0.003	11	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4760	0.037	3	109.4760	0.001	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4210	0.065	2	109.4210	0.004	2	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4673	0.052	3	109.4673	0.003	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4610	0.034	4	109.4610	0.001	4	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4780	0.000	1	109.4780	0.000	1	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4724	0.049	5	109.4724	0.002	5	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4718	0.036	4	109.4718	0.001	4	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4630	0.020	5	109.4630	0.000	5	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4692	0.032	5	109.4480	0.002	8	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4127	0.039	3	109.4480	0.002	8	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.5064	0.015	5	109.4847	0.001	26	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4787	0.035	12	109.4847	0.001	26	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4806	0.031	9	109.4847	0.001	26	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3){1|Rh<6>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(CC[6a]HH)	109.4690	0.000	1	109.4690	0.000	1	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6a]HH)	110.4832	2.232	11	110.0846	8.341	20	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	108.9035	3.910	6	110.0846	8.341	20	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	H(CC[6a]HH)	110.9853	3.136	3	110.0846	8.341	20	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.4816	0.041	18	109.4818	0.680	33	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.4217	0.008	3	109.4818	0.680	33	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|N<3>,2|O<1>}	H(CC[6a]HH)	109.4580	0.047	3	109.4818	0.680	33	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.5102	1.647	9	109.4818	0.680	33	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.4900	0.176	13	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HH)	109.4699	0.043	59	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HH)	109.4643	0.016	3	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>}	H(CC[6a]HH)	109.4618	0.038	6	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4820	0.043	23	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<3>,2|O<1>}	H(CC[6a]HH)	109.8565	0.664	6	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|O<2>,2|O<1>}	H(CC[6a]HH)	109.5003	0.020	3	109.4955	0.032	113	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HH)	109.4507	0.020	3	109.4507	0.000	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4729	0.018	21	109.4729	0.000	21	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HH)	109.4694	0.011	14	109.4639	0.001	17	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HH)	109.4383	0.075	3	109.4639	0.001	17	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[6a]HH)	109.4637	0.050	3	109.4637	0.003	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4585	0.035	2	109.4585	0.001	2	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	H(CC[6a]HH)	109.4887	0.040	3	109.4887	0.002	3	109.5214	0.628	305	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	H(CC[6a]HH)	109.4380	0.030	3	109.4380	0.001	3	109.4594	0.022	26	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4400	0.038	2	109.4400	0.001	2	109.4594	0.022	26	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HH)	109.4636	0.184	17	109.4636	0.034	17	109.4594	0.022	26	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5,6a]C[6a])(H)3	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4672	0.022	4	109.4672	0.000	4	109.4594	0.022	26	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[5,6a])(H)3	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[5,6a])(H)3	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	H(CC[6a]HH)	109.4517	0.025	3	109.4517	0.001	3	109.4517	0.001	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6,6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6,6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(CC[6a]HH)	109.4766	0.017	8	109.4766	0.000	8	109.4766	0.000	8	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3){1|N<2>,4|C<3>}	H(CC[6a]HH)	109.4586	0.041	5	109.4586	0.002	5	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4877	0.022	3	109.4877	0.000	3	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	H(CC[6a]HH)	109.4658	0.033	6	109.4658	0.001	6	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4850	0.021	2	109.4850	0.000	2	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	H(CC[6a]HH)	110.4218	3.184	6	110.4218	10.136	6	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]HH)	109.4870	0.020	3	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	H(CC[6a]HH)	109.4807	0.020	3	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]HH)	109.4400	0.014	2	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]HH)	109.5059	0.050	7	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CC[6a]HH)	109.4798	0.036	16	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HH)	109.4682	0.033	6	109.4814	0.001	37	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]HH)	109.4670	0.027	4	109.5727	0.123	16	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	H(CC[6a]HH)	110.2315	0.916	2	109.5727	0.123	16	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4585	0.005	2	109.5727	0.123	16	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4898	0.034	5	109.5727	0.123	16	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){2|C<3>,2|N<2>}	H(CC[6a]HH)	109.4890	0.013	3	109.5727	0.123	16	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]HH)	109.4567	0.364	50	109.4682	0.526	62	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4783	0.013	3	109.4682	0.526	62	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]HH)	109.4742	0.029	4	109.4682	0.526	62	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	H(CC[6a]HH)	109.4725	0.019	2	109.4682	0.526	62	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[5a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|N<2>}	H(CC[6a]HH)	109.6383	3.571	3	109.4682	0.526	62	109.5259	0.661	137	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[6,6a]C[6a])(H)3	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[6,6a]C[6a])(H)3	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]HH)	109.4703	0.037	3	109.4703	0.001	3	109.4703	0.001	3	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HH)	109.4545	0.042	2	109.4545	0.002	2	109.4774	0.001	8	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4610	0.010	3	109.4610	0.000	3	109.4774	0.001	8	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]N[6a,6a]C[6a])(H)3	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.5090	0.018	3	109.5090	0.000	3	109.4774	0.001	8	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	H(CC[6a]HH)	109.4730	0.050	5	109.4730	0.003	5	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4740	0.013	3	109.4740	0.000	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a,6a]H)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4626	0.083	14	109.4626	0.007	14	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	H(CC[6a]HH)	109.4780	0.004	2	109.4780	0.000	2	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]HH)	109.4753	0.029	3	109.4753	0.001	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4663	0.013	3	109.4663	0.000	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3){1|O<1>,4|C<3>}	H(CC[6a]HH)	109.4683	0.016	3	109.4683	0.000	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4660	0.048	2	109.4660	0.002	2	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	H(CC[6a]HH)	109.4570	0.030	2	109.4570	0.001	2	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[6a]HH)	109.5285	0.497	6	109.5285	0.247	6	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	107.6197	3.414	3	107.6197	11.658	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[6a]HH)	109.4643	0.031	3	109.4643	0.001	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3){4|C<3>}	H(CC[6a]HH)	109.4813	0.049	3	109.4813	0.002	3	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	H(CC[6a]HH)	109.4920	0.036	3	109.4818	0.160	6	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	H(CC[6a]HH)	109.4717	0.631	3	109.4818	0.160	6	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4543	0.073	3	109.4633	0.001	12	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|P<2>,3|C<3>}	H(CC[6a]HH)	109.4500	0.014	3	109.4633	0.001	12	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ni<7>,1|N<3>,3|C<3>}	H(CC[6a]HH)	109.4710	0.020	3	109.4633	0.001	12	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CC[6a]HH)	C(C[6a]C[6a]N[6a])(H)3	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	H(CC[6a]HH)	109.4777	0.020	3	109.4633	0.001	12	109.3945	0.513	70	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHI)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHI){1|C<3>,2|H<1>}	H(CC[6a]HI)	109.1865	0.011	2	109.1865	0.000	2	110.9296	7.502	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)2(CHHI)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]C)2(CHHI){1|C<3>,2|C<4>}	H(CC[6a]HI)	109.9920	0.008	2	109.9920	0.000	2	110.9296	7.502	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HI)	109.5407	0.158	3	112.0018	11.608	5	110.9296	7.502	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI)	H(CC[6a]HI)	C(C[6a]C[6a]2)(H)2(I)	C[6a](C[6a]C[6a]H)2(CHHI){1|C<3>,2|H<1>}	H(CC[6a]HI)	115.6935	0.977	2	112.0018	11.608	5	110.9296	7.502	9	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.0752	1.798	8	109.0752	3.233	8	109.6309	14.883	14	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	H(CC[6a]HO)	113.2955	11.804	2	113.2955	139.328	2	109.6309	14.883	14	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(H)2(O)	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.9098	0.187	4	108.9098	0.035	4	109.6309	14.883	14	109.5769	0.571	120002	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:2:4:	4:	C[6a]-3:N-2:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NC[5])(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.6695	2.119	2	108.6695	4.491	2	108.6695	4.491	2	108.6695	4.491	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HO)	109.0185	0.013	2	109.0185	0.000	2	109.0185	0.000	2	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|O<1>,2|C<3>}	H(CC[6a]HO)	109.2212	0.099	4	109.2212	0.010	4	109.2212	0.010	4	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.9659	1.047	8	109.9659	1.096	8	109.5175	0.575	28	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	H(CC[6a]HS)	109.6610	0.000	1	109.6610	0.000	1	109.5175	0.575	28	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	H(CC[6a]HS)	109.5906	0.434	13	109.5906	0.188	13	109.5175	0.575	28	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.4570	0.011	2	108.4570	0.000	2	109.5175	0.575	28	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	2:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	H(CC[6a]HS)	108.8777	0.060	4	108.8777	0.004	4	109.5175	0.575	28	109.4533	0.493	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.4975	0.039	2	109.2567	0.271	21	108.8814	2.005	27	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3366	0.480	19	109.2567	0.271	21	108.8814	2.005	27	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	104.2435	0.054	2	104.2435	0.003	2	108.8814	2.005	27	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2300	0.274	4	109.2300	0.075	4	108.8814	2.005	27	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:Br-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO)	H(CC[6a]BrO)	C(C[6a]C[6a]N[6a])(OH)(Br)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CBrHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]BrO)	101.9960	0.000	1	101.9960	0.000	1	101.9960	0.000	1	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.0436	2.739	24	109.7093	3.854	49	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2115	0.628	11	109.7093	3.854	49	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.6453	0.358	12	109.7093	3.854	49	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|N<3>,1|O<1>,1|S<1>}	H(CC[6a]HO)	108.8195	0.011	2	109.7093	3.854	49	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2332	0.047	4	110.2332	0.002	4	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	110.3237	0.045	3	110.3237	0.002	3	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.6024	0.365	8	109.8145	0.392	62	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.8963	0.675	31	109.8145	0.392	62	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	108.7280	0.815	2	109.8145	0.392	62	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8779	0.531	21	109.8145	0.392	62	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>}	H(CC[6a]HO)	109.7398	0.834	4	109.7398	0.696	4	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.0717	0.394	7	109.0379	0.440	27	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	108.7527	1.263	6	109.0379	0.440	27	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]HO)	108.6735	0.025	2	109.0379	0.440	27	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0648	0.096	4	109.0379	0.440	27	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.2999	0.410	8	109.0379	0.440	27	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4050	0.007	2	109.4050	0.000	2	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.2498	0.211	14	109.2498	0.044	14	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(ON)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHO){1|C<3>,1|H<1>}	H(CC[6a]HO)	109.2440	0.011	2	109.2440	0.000	2	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.5315	0.742	4	109.5315	0.551	4	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.5380	0.025	2	110.5380	0.001	2	109.6251	1.416	173	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO){1|O<1>,2|C<3>}	H(CC[6a]HO)	110.4290	0.000	1	110.4290	0.000	1	108.7257	2.289	14	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HO)	108.7862	1.752	6	108.9121	2.668	7	108.7257	2.289	14	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]HO)	109.6680	0.000	1	108.9121	2.668	7	108.7257	2.289	14	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HO)	106.6585	1.138	2	108.2243	1.819	6	108.7257	2.289	14	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]O[6a])(OH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HO)	109.0072	0.385	4	108.2243	1.819	6	108.7257	2.289	14	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HS)	109.0087	0.081	3	108.1910	7.263	41	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.9948	0.434	24	108.1910	7.263	41	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	105.8065	4.838	10	108.1910	7.263	41	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<4>,2|C<3>}	H(CC[6a]HS)	108.7157	0.150	4	108.1910	7.263	41	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	H(CC[6a]HS)	108.9049	0.137	9	108.9049	0.019	9	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.7530	0.000	1	109.1152	1.310	5	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2057	1.301	4	109.1152	1.310	5	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	109.8648	0.138	4	109.8648	0.019	4	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.4070	1.243	20	109.3756	1.193	33	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HS)	109.4137	0.881	3	109.3756	1.193	33	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3015	0.893	10	109.3756	1.193	33	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|C<4>}	H(CC[6a]HS)	109.6205	0.489	15	109.6205	0.240	15	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>}	H(CC[6a]HS)	109.5775	0.054	4	109.5775	0.003	4	108.9461	3.445	111	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SeC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]N[6a])(SeC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.6510	0.208	3	108.6510	0.043	3	108.6581	0.054	7	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:2:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]N[6a])(SeC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.6635	0.280	4	108.6635	0.078	4	108.6581	0.054	7	109.2574	2.415	333	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7280	0.040	2	108.7280	0.002	2	108.7280	0.002	2	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	H(CC[6a]CH)	109.4070	0.028	2	109.1773	0.071	4	109.1773	0.071	4	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.9475	0.015	2	109.1773	0.071	4	109.1773	0.071	4	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|O<2>,3|C<3>}	H(CC[6a]CH)	108.9310	0.000	1	108.9310	0.000	1	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5600	0.014	2	109.5092	0.183	6	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.4838	0.550	4	109.5092	0.183	6	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7477	0.049	4	108.7477	0.002	4	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1000	0.118	3	109.1000	0.014	3	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.0267	0.125	3	109.0267	0.016	3	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	110.8820	0.011	2	110.8820	0.000	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9255	2.114	2	108.9255	4.467	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7275	0.006	2	108.7275	0.000	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	108.9178	0.168	9	108.9178	0.028	9	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.8640	0.023	2	108.8640	0.001	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.2080	3.690	2	109.2080	13.614	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.8337	0.028	3	109.0180	0.484	17	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.7340	0.092	4	109.0180	0.484	17	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1869	0.883	10	109.0180	0.484	17	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0744	0.156	5	109.0744	0.024	5	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8630	0.023	2	108.8630	0.001	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.1248	0.206	26	109.1644	1.328	71	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	111.1518	3.501	6	109.1644	1.328	71	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.8618	0.205	18	109.1644	1.328	71	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9051	0.395	21	109.1644	1.328	71	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COs)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COs)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	111.6445	8.507	2	111.6445	72.372	2	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRe)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRe)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0810	0.468	4	109.0810	0.219	4	109.1644	1.579	137	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:C-2:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	H(CC[6a]CH)	108.8600	0.030	2	108.8600	0.001	2	108.8600	0.001	2	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.2293	0.123	6	109.2293	0.015	6	109.2632	0.015	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHN){5|C<3>}	H(CC[6a]HN)	109.3650	0.006	2	109.3650	0.000	2	109.2632	0.015	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.1760	0.013	2	109.1760	0.000	2	109.4754	0.075	5	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HN)	109.6750	0.032	3	109.6750	0.001	3	109.4754	0.075	5	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	109.8207	0.070	3	109.8207	0.005	3	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.2770	0.074	4	110.0172	1.372	6	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	111.4975	0.518	2	110.0172	1.372	6	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6945	0.008	2	109.6945	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.9580	0.853	43	108.9580	0.727	43	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2210	0.037	4	109.2210	0.001	4	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	109.2080	0.020	2	109.2080	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.7278	0.275	8	109.7278	0.075	8	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4156	0.499	17	109.4156	0.249	17	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.4070	0.013	2	104.0246	38.629	4	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	98.6422	0.068	2	104.0246	38.629	4	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6835	0.063	2	109.6835	0.004	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.5703	0.850	9	109.5703	0.722	9	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1914	0.397	13	109.1921	0.400	174	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.3005	0.008	2	109.1921	0.400	174	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2264	0.647	150	109.1921	0.400	174	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.8260	0.140	4	109.1921	0.400	174	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.8152	0.692	5	109.1921	0.400	174	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3950	0.028	3	109.3950	0.001	3	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7030	1.351	4	108.7030	1.826	4	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0231	0.286	12	109.0231	0.082	12	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.0935	1.141	2	110.0935	1.301	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6710	0.000	1	108.6710	0.000	1	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6,6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.3000	0.014	2	109.3000	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2349	0.270	8	109.2349	0.073	8	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.2130	0.021	2	109.2130	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6970	0.006	2	109.6970	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9027	0.405	17	108.9027	0.164	17	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8360	0.000	1	108.8360	0.000	1	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2796	0.294	8	109.2796	0.086	8	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4120	0.000	1	108.4120	0.000	1	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	108.9155	0.022	2	108.9155	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSb)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSb)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7490	0.018	2	109.7490	0.000	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSi[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSi[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7500	0.038	2	108.7500	0.001	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4320	4.496	2	108.4320	20.212	2	109.1400	1.139	345	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]HO)	108.1800	0.007	2	109.0920	1.109	4	108.7514	0.767	10	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]HO)	110.0040	0.030	2	109.0920	1.109	4	108.7514	0.767	10	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]HO)	109.0195	0.019	2	109.0195	0.000	2	108.7514	0.767	10	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO){1|Se<2>,1|H<1>,2|C<3>}	H(CC[6a]HO)	107.5580	0.035	2	107.5580	0.001	2	108.7514	0.767	10	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]HO)	108.9955	0.012	2	108.9955	0.000	2	108.7514	0.767	10	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	H(CC[6a]HO)	111.5002	0.845	4	111.5002	0.715	4	110.7619	2.281	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	H(CC[6a]HO)	111.1445	2.105	2	111.1445	4.431	2	110.7619	2.281	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]HO)	108.9025	0.018	2	108.9025	0.000	2	110.7619	2.281	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HO)	107.7585	0.540	6	107.7585	0.292	6	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6a]HO)	110.1350	0.045	2	111.4228	3.548	4	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HO)	112.7105	2.002	2	111.4228	3.548	4	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HO)	110.1310	0.148	2	110.1310	0.022	2	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OC[6a])(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){2|C<3>,2|C<4>}	H(CC[6a]HO)	110.0093	0.031	3	110.0093	0.001	3	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HO)	108.9510	0.008	2	108.9510	0.000	2	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(CHHO){1|C<4>,3|C<3>}	H(CC[6a]HO)	109.4425	0.086	2	109.4425	0.007	2	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.8902	0.220	4	108.8640	0.078	13	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6,6a]C[6a])(OH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHO){1|C<3>,3|C<4>}	H(CC[6a]HO)	108.8523	0.314	9	108.8640	0.078	13	109.2047	1.636	32	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OB[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OB[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	H(CC[6a]HO)	109.7640	0.011	2	109.7640	0.000	2	109.8680	0.171	23	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	H(CC[6a]HO)	109.9195	0.285	14	109.9195	0.081	14	109.8680	0.171	23	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CHHO){5|C<3>}	H(CC[6a]HO)	110.3680	0.025	2	110.3680	0.001	2	109.8680	0.171	23	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	H(CC[6a]HO)	109.8117	0.786	3	109.8117	0.618	3	109.8680	0.171	23	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(ON)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(ON)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	H(CC[6a]HO)	109.1960	0.042	2	109.1960	0.002	2	109.8680	0.171	23	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	108.8472	1.069	6	108.8472	1.143	6	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HO)	109.3010	0.045	2	109.8692	0.300	6	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	110.1532	0.420	4	109.8692	0.300	6	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.8456	0.630	15	109.8456	0.397	15	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHO){1|H<1>,3|C<3>}	H(CC[6a]HO)	109.7255	0.043	2	109.7255	0.002	2	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO){2|C<4>,3|C<3>}	H(CC[6a]HO)	109.9745	0.022	2	109.9745	0.000	2	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HO)	109.8555	0.081	4	109.8555	0.007	4	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	110.0623	0.337	4	110.0623	0.114	4	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.0588	0.250	4	109.0588	0.062	4	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	H(CC[6a]HO)	109.2385	0.011	2	109.2385	0.000	2	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HO)	109.0843	0.486	7	109.2955	0.647	19	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HO)	108.8470	0.064	2	109.2955	0.647	19	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.5330	0.997	10	109.2955	0.647	19	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]C[6a])(OH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.3675	0.026	2	109.3675	0.001	2	109.5320	0.525	66	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OAl)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OAl)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1638	0.297	34	109.1638	0.088	34	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6976	0.402	14	109.6976	0.162	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB[3x6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[3x6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	108.5220	0.016	2	108.5220	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5610	0.049	2	109.5610	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OB[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OB[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.9380	0.091	2	108.9380	0.008	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(CHHO){1|C<4>,4|C<3>}	H(CC[6a]HO)	110.3325	0.236	4	110.3325	0.056	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.5420	0.057	2	110.0335	0.346	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	109.5250	0.021	2	110.0335	0.346	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.6178	0.549	4	109.5747	0.132	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.5025	0.039	2	109.5747	0.132	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.5610	0.011	2	109.5747	0.132	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.8415	0.015	2	109.8415	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	110.1200	0.079	2	110.1200	0.006	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HO)	109.0443	0.573	4	109.0443	0.329	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HO)	110.1240	0.025	2	110.1240	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.1145	1.339	2	110.1145	1.792	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	H(CC[6a]HO)	109.2565	0.469	6	109.2565	0.220	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO){1|C<4>,4|C<3>}	H(CC[6a]HO)	109.6430	0.088	4	109.5338	0.033	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CHHO){1|O<2>,4|C<3>}	H(CC[6a]HO)	109.3155	0.015	2	109.5338	0.033	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.5400	0.189	4	110.5400	0.036	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.7319	0.165	7	109.7319	0.027	7	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHO){3|C<3>}	H(CC[6a]HO)	109.8946	0.447	16	109.8946	0.200	16	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	109.0306	0.150	8	109.0306	0.023	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.0760	0.027	2	110.0760	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.8210	0.122	3	109.8210	0.015	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO){5|C<3>}	H(CC[6a]HO)	110.6000	0.016	2	110.6000	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HO)	108.6845	0.047	2	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HO)	109.3267	0.518	3	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]HO)	110.2078	2.352	4	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[6a]HO)	110.4480	0.003	4	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HO)	109.0805	0.019	2	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	110.1216	0.844	69	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|O<2>,3|C<3>}	H(CC[6a]HO)	110.6325	1.692	2	110.0673	0.910	86	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.5925	0.333	2	109.7416	1.896	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.7888	1.615	14	109.7416	1.896	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6207	0.071	3	109.7416	1.896	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0484	0.524	12	110.0104	0.242	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.7820	0.033	2	110.0104	0.242	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.7520	0.011	2	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.6392	0.469	20	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.4758	0.369	6	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1845	0.711	77	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	108.6688	1.644	4	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.0905	0.018	2	109.9839	0.595	111	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HO)	109.5080	0.532	3	109.5690	0.152	7	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.9010	0.017	2	109.5690	0.152	7	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.3285	0.032	2	109.5690	0.152	7	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.8267	1.824	45	110.7673	3.093	49	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	110.0995	0.159	4	110.7673	3.093	49	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO){1|Fe<7>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]HO)	111.9928	1.633	4	111.9928	2.667	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0962	0.687	33	110.0508	0.437	37	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.6767	0.099	4	110.0508	0.437	37	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1517	1.095	16	110.1517	1.198	16	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	110.2885	0.013	2	110.2885	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HO)	110.2914	0.113	8	110.1288	0.228	82	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	110.0993	0.526	66	110.1288	0.228	82	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2095	0.080	8	110.1288	0.228	82	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8710	0.000	1	109.8710	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	111.1528	2.564	6	110.4267	2.710	26	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	110.1225	0.044	4	110.4267	2.710	26	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2304	1.431	16	110.4267	2.710	26	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.8884	0.331	8	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HO)	109.3320	5.750	4	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]HO)	110.1210	0.743	16	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.6956	0.604	8	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]HO)	109.8865	0.040	2	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.4710	1.268	115	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3828	0.592	27	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	110.1289	5.652	7	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HO)	109.3841	2.231	8	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.6770	0.092	2	109.5611	2.757	197	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4915	0.287	12	109.4915	0.083	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	109.7910	0.349	2	109.7910	0.122	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	H(CC[6a]HO)	109.4504	1.246	11	109.4318	1.296	13	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){2|C<3>}	H(CC[6a]HO)	109.3300	0.034	2	109.4318	1.296	13	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.6555	0.694	2	109.6555	0.481	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HO)	109.8457	0.803	7	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.2344	1.679	17	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HO)	109.8179	0.962	7	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HO)	109.5470	0.358	7	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	110.7742	1.458	4	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.9959	0.914	39	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]HO)	109.4720	0.988	6	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.8821	0.243	8	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	109.8568	0.061	6	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8351	1.085	2072	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	H(CC[6a]HO)	110.0747	0.033	4	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.7256	0.500	43	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.0005	1.450	4	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.3874	0.670	8	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]HO)	110.1130	0.093	2	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Mn<6>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.3685	0.049	2	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	H(CC[6a]HO)	110.1685	0.450	6	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]HO)	110.1270	0.030	2	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){2|Cl<1>,1|C<3>}	H(CC[6a]HO)	109.2275	0.030	2	109.8366	1.146	2246	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4880	0.023	2	109.4880	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]HO)	109.6765	1.324	2	109.6765	1.754	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	108.9682	0.201	4	108.9682	0.040	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HO)	110.0085	0.408	2	109.8703	0.864	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HO)	109.3480	1.301	4	109.8703	0.864	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHO){2|C<3>,2|N<2>}	H(CC[6a]HO)	110.3235	0.439	4	109.8703	0.864	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7800	0.261	4	109.7800	0.068	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.7380	0.240	4	109.6198	0.307	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5410	0.707	6	109.6198	0.307	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.8763	0.321	18	109.8763	0.103	18	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO){1|C<3>,1|C<4>}	H(CC[6a]HO)	109.3885	0.009	2	109.3885	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6100	0.352	4	109.6100	0.124	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.3083	0.223	4	110.3083	0.050	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3570	0.616	7	109.3570	0.380	7	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0610	0.064	2	110.0610	0.004	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7442	0.223	4	109.7442	0.050	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CHHO){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]HO)	108.0660	0.000	1	108.0660	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8112	0.956	44	109.8112	0.914	44	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0182	0.226	4	109.0182	0.051	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.6010	0.153	2	108.6010	0.023	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	109.8027	0.117	3	109.8027	0.014	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	H(CC[6a]HO)	108.9120	0.038	2	108.9120	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.2138	0.069	4	109.5968	1.740	220	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5918	1.333	214	109.5968	1.740	220	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	108.9035	0.049	2	109.5968	1.740	220	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.6455	0.005	2	109.6455	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6515	0.033	2	109.6515	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1262	0.123	12	110.1262	0.015	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7304	0.990	24	109.7304	0.981	24	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.8350	0.348	14	109.8350	0.121	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6225	0.011	2	109.6225	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.2540	0.030	2	109.7740	0.597	645	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.1945	0.362	4	109.7740	0.597	645	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7693	0.776	637	109.7740	0.597	645	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.9405	0.006	2	109.7740	0.597	645	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	110.6765	0.025	2	110.6765	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,4|C<3>}	H(CC[6a]HO)	110.3216	0.153	8	110.3216	0.023	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.8240	0.000	1	109.8240	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.2284	0.221	8	110.2284	0.049	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	H(CC[6a]HO)	110.2579	0.195	21	110.2579	0.038	21	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO){2|C<3>}	H(CC[6a]HO)	110.0309	0.201	9	110.0309	0.041	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.1432	0.391	12	109.2951	0.219	15	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){5|C<3>}	H(CC[6a]HO)	109.9030	0.013	3	109.2951	0.219	15	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.2510	0.349	4	110.2510	0.122	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	111.0965	1.555	2	111.0965	2.418	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	110.4165	0.008	2	110.4165	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.7025	0.671	22	110.0655	0.666	101	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	110.0955	0.503	6	110.0655	0.666	101	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1771	0.875	69	110.0655	0.666	101	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|N<2>,2|H<1>}	H(CC[6a]HO)	110.0910	0.036	4	110.0655	0.666	101	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.3091	0.641	212	110.3091	0.411	212	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HO)	108.6225	0.008	2	108.6225	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7728	0.616	18	109.7728	0.379	18	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7795	0.958	4	109.7795	0.917	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0854	0.113	9	110.0854	0.013	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	110.2816	0.106	8	110.2770	0.009	11	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2647	0.065	3	110.2770	0.009	11	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	110.8590	0.983	2	110.8590	0.966	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1972	0.089	6	109.8386	0.188	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	110.0968	0.069	6	109.8386	0.188	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.3099	0.177	7	109.8386	0.188	19	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1040	0.028	2	110.1040	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CHHO){1|C<3>,1|C<4>}	H(CC[6a]HO)	108.8296	0.170	8	108.8296	0.029	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	H(CC[6a]HO)	109.9977	0.291	28	109.9977	0.085	28	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.6287	0.455	6	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.7453	0.649	51	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HO)	109.9345	0.179	4	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HO)	109.8295	0.155	8	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	110.4640	1.215	2	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	110.4500	1.327	2	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.0467	1.376	6	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	110.0422	0.290	5	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.9124	0.671	964	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.7687	0.861	14	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	109.3915	0.591	4	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	110.5532	2.484	4	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.2090	0.054	2	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	H(CC[6a]HO)	109.9758	0.308	56	109.9084	0.452	1128	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.7800	0.123	2	110.3740	0.226	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.9680	0.047	2	110.3740	0.226	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGa[5,6,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3385	0.022	2	109.3385	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OGe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1840	0.045	4	109.1840	0.002	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.8317	1.183	4	109.8317	1.400	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	108.7960	0.000	1	108.8732	0.217	5	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	108.8925	0.535	4	108.8732	0.217	5	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHO){1|C<4>,6|C<3>}	H(CC[6a]HO)	109.2990	0.016	2	109.2990	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CHHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HO)	109.9215	3.466	4	109.9215	12.010	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.0340	0.247	4	108.9876	0.070	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	108.9805	0.340	4	108.9876	0.070	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.8300	0.000	1	108.9876	0.070	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.4990	0.014	2	109.4990	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]C)(CHHO){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]HO)	109.1580	0.034	2	109.1580	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CHHO){1|N<3>,2|C<3>}	H(CC[6a]HO)	108.8235	0.013	2	108.8235	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.8620	0.040	2	109.8620	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CHHO){1|Br<1>,1|C<3>,1|N<2>}	H(CC[6a]HO)	109.6303	0.195	4	109.6303	0.038	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	108.9580	0.051	2	108.9565	0.001	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CHHO){1|O<2>,2|C<3>}	H(CC[6a]HO)	108.9550	0.018	2	108.9565	0.001	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.8470	0.010	2	108.8470	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHO){5|C<3>}	H(CC[6a]HO)	109.3925	0.226	4	109.3925	0.051	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C[3])(CHHO){1|H<1>,2|C<4>,4|C<3>}	H(CC[6a]HO)	109.3005	0.400	4	109.3005	0.160	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){1|C<4>,4|C<3>}	H(CC[6a]HO)	109.2990	0.000	1	109.2990	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHO){2|C<3>}	H(CC[6a]HO)	108.9940	0.257	10	108.9940	0.066	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CHHO){2|C<3>}	H(CC[6a]HO)	109.8318	0.028	5	109.8318	0.001	5	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CHHO){2|C<3>}	H(CC[6a]HO)	110.0485	0.009	2	110.0485	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CHHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HO)	108.8805	0.463	4	108.8805	0.214	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	H(CC[6a]HO)	109.1557	0.421	8	109.1557	0.177	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	109.3830	0.163	4	109.3830	0.027	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HO)	108.9052	0.899	4	109.2493	0.174	63	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HO)	109.0751	0.363	8	109.2493	0.174	63	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	109.2166	0.335	5	109.2493	0.174	63	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2945	0.365	44	109.2493	0.174	63	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]HO)	109.7220	0.040	2	109.2493	0.174	63	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]HO)	110.1910	0.008	2	109.8270	0.841	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<4>}	H(CC[6a]HO)	109.4630	1.411	2	109.8270	0.841	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HO)	109.0780	0.017	2	109.2527	1.557	25	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>}	H(CC[6a]HO)	109.2679	1.302	23	109.2527	1.557	25	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	H(CC[6a]HO)	110.1960	1.687	4	110.1960	2.844	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.1991	0.138	8	109.2417	0.045	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.2985	0.290	6	109.2417	0.045	14	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)(CHHO){1|C<3>,1|O<2>,2|N<3>}	H(CC[6a]HO)	108.5240	0.035	2	108.5240	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	108.9457	0.160	6	108.9457	0.026	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1252	0.125	4	109.1252	0.016	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.0870	0.561	2	109.1221	0.659	34	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	109.3115	1.484	2	109.1221	0.659	34	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1118	0.813	30	109.1221	0.659	34	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HO)	108.9617	0.085	4	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	111.5520	1.004	2	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.4580	0.581	3	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HO)	109.0950	0.277	7	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	109.4087	0.203	3	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.0377	0.227	9	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4620	0.658	3	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	109.0968	0.253	17	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HO)	109.6930	2.293	4	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){2|Br<1>,1|C<3>}	H(CC[6a]HO)	109.1277	0.219	4	109.2655	0.610	56	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.1880	0.062	2	109.2798	0.006	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3257	0.027	4	109.2798	0.006	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.9485	0.008	2	109.9099	1.799	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.1502	1.408	8	109.9099	1.799	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HO)	109.3448	0.431	5	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HO)	108.8695	0.137	8	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HO)	109.2900	0.000	1	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	109.3658	0.555	20	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.2574	0.465	8	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1689	0.467	54	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	H(CC[6a]HO)	109.5025	0.040	2	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|O<2>}	H(CC[6a]HO)	109.5154	0.360	11	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]HO)	109.2640	0.034	2	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.4532	0.454	4	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|O<2>,2|C<3>}	H(CC[6a]HO)	109.2480	0.000	1	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){2|Cl<1>,1|C<3>}	H(CC[6a]HO)	108.6183	1.389	4	109.2267	0.268	120	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]HO)	108.7425	0.016	2	108.7425	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHO){3|C<3>}	H(CC[6a]HO)	109.8610	0.000	1	109.8610	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O)2(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	109.6820	0.000	1	109.6820	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CHHO){4|C<3>}	H(CC[6a]HO)	109.3085	0.018	2	109.3085	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.6860	0.086	2	109.1200	0.143	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3370	0.220	4	109.1200	0.143	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.2670	0.522	4	109.2950	0.158	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3174	0.332	5	109.2950	0.158	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]S)(CHHO){1|C<3>}	H(CC[6a]HO)	109.5655	0.083	4	109.5655	0.007	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OH)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0435	0.047	2	110.0435	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMn)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMn)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	106.8043	3.544	6	106.8043	12.558	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMo)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMo)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.9845	0.666	6	108.9845	0.443	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5967	0.599	3	109.5967	0.359	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6646	0.735	12	109.6646	0.541	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2060	0.315	3	109.2060	0.099	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0683	0.052	4	110.0683	0.003	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	110.7950	0.010	2	110.5153	0.105	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2355	0.042	2	110.5153	0.105	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4215	0.569	4	109.4215	0.323	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|C<3>,1|H<1>}	H(CC[6a]HO)	109.1950	0.000	1	109.1950	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0611	1.122	124	109.9834	1.277	132	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HO)	108.7786	0.148	8	109.9834	1.277	132	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2775	0.052	2	109.2775	0.003	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[4])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.4145	0.021	2	110.4145	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1170	0.000	1	110.1170	0.000	1	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2591	0.407	37	110.2591	0.166	37	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	110.5493	0.088	3	110.5493	0.008	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.4510	0.052	2	110.4510	0.003	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.1400	0.020	2	110.1400	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.8315	2.480	29	110.8315	6.148	29	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	112.4005	1.689	6	112.4005	2.853	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ONi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ONi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.4160	0.127	4	109.4160	0.016	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	110.6910	0.072	2	110.6910	0.005	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5161	1.763	8	109.5161	3.109	8	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.8931	1.686	10	110.8931	2.843	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0820	0.011	2	110.0820	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7986	0.382	41	109.7986	0.146	41	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HO)	108.9134	0.107	9	108.9134	0.012	9	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	108.9640	0.078	2	108.9640	0.006	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP[6,6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OP[6,6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0065	0.016	2	110.0065	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OPd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7270	0.071	2	109.7270	0.005	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6305	0.040	2	109.6305	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.5840	0.078	2	108.5840	0.006	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.9620	0.118	4	109.9620	0.014	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2029	1.686	12	110.2029	2.843	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.9180	0.020	2	110.2613	0.157	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OS)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	H(CC[6a]HO)	110.6045	0.013	2	110.2613	0.157	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHO){1|H<1>,2|C<3>}	H(CC[6a]HO)	108.8970	0.010	2	108.8970	0.000	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHO){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]HO)	109.6835	0.856	2	109.6835	0.733	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]HO)	109.4795	0.259	4	109.4795	0.067	4	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHO){1|N<3>,1|O<1>}	H(CC[6a]HO)	109.3660	0.047	2	109.3660	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|N<2>,2|H<1>}	H(CC[6a]HO)	109.8710	0.048	2	109.8710	0.002	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HO)	109.4600	0.013	2	109.4522	0.068	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5033	0.313	6	109.4522	0.068	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|N<3>}	H(CC[6a]HO)	109.3715	0.267	4	109.4522	0.068	12	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]I)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSi)(H)2	C[6a](C[6a]C[6a]I)2(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.8190	0.347	10	109.8190	0.121	10	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSn)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSn)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	109.7505	0.032	2	109.7505	0.001	2	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OTi)(H)2	C[6a](C[6a]C[6a]F)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OTi)(H)2	C[6a](C[6a]C[6a]F)2(CHHO){1|C<3>,2|F<1>}	H(CC[6a]HO)	109.2000	0.504	6	109.2000	0.254	6	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OZn)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZn)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3627	0.127	3	109.3627	0.016	3	109.8261	0.984	6607	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]N[6a])(OH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HO)	109.0710	0.031	2	109.0710	0.001	2	109.0710	0.001	2	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	H(CC[6a]HO)	110.6635	0.066	2	110.6635	0.004	2	110.6635	0.004	2	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(SH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6,6,6a]C[6a])(SH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CHHS){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]HS)	108.4568	0.381	6	108.4568	0.145	6	108.4568	0.145	6	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SC[5])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SC[5])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]HS)	108.6855	0.049	2	108.6855	0.002	2	108.6855	0.002	2	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS){2|H<1>,5|C<3>}	H(CC[6a]HS)	107.9355	0.129	4	107.9355	0.017	4	108.9630	1.236	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(SC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS){2|H<1>,5|C<3>}	H(CC[6a]HS)	109.9905	0.229	4	109.9905	0.052	4	108.9630	1.236	8	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SAs)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SAs)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	108.6473	0.104	3	108.6473	0.011	3	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CHHS){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]HS)	108.0030	0.205	4	108.0030	0.042	4	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HS)	109.2335	0.019	2	109.1869	0.938	44	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HS)	109.1477	0.251	6	109.1869	0.938	44	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HS)	108.6199	0.576	22	109.1869	0.938	44	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HS)	110.5910	2.628	2	109.1869	0.938	44	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	110.0042	0.804	12	109.1869	0.938	44	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HS)	108.4998	0.366	6	108.4998	0.134	6	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	111.7340	0.703	4	111.7340	0.494	4	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHS){1|H<1>,3|C<3>}	H(CC[6a]HS)	108.7355	0.005	2	108.7355	0.000	2	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]C[6a])(SS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	108.7939	0.729	15	108.7939	0.531	15	109.0961	1.135	78	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.6372	2.627	15	109.6372	6.902	15	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.8620	0.753	52	108.8620	0.567	52	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.3275	0.291	22	108.3275	0.085	22	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	111.6860	1.302	6	111.6860	1.695	6	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.2516	0.236	5	108.7245	0.732	36	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAs)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8008	0.896	31	108.7245	0.732	36	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAu)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAu)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0630	0.016	2	109.0630	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.2894	0.577	10	108.2894	0.333	10	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.1547	0.299	14	108.1547	0.090	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|C<4>,2|C<3>}	H(CC[6a]HS)	109.0185	0.040	2	109.3233	0.234	9	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.4104	0.522	7	109.3233	0.234	9	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Si)(CHHS){3|C<3>}	H(CC[6a]HS)	108.9507	0.035	4	108.9507	0.001	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.5985	0.016	2	108.5985	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HS)	108.6227	0.451	4	109.2828	1.754	10	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	108.8448	0.151	4	109.2828	1.754	10	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|O<2>,3|C<3>}	H(CC[6a]HS)	111.4790	1.717	2	109.2828	1.754	10	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HS)	108.6545	0.287	28	108.6258	0.117	32	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.4245	0.635	4	108.6258	0.117	32	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HS)	108.5630	0.256	9	109.2845	0.937	75	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	110.1967	1.533	14	109.2845	0.937	75	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1638	0.644	52	109.2845	0.937	75	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.6650	0.438	20	108.6650	0.192	20	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.5750	0.068	2	108.5750	0.005	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.8435	1.173	4	109.3884	1.036	7	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HS)	108.7817	0.274	3	109.3884	1.036	7	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]F)2(CHHS){1|C<3>,2|F<1>}	H(CC[6a]HS)	108.3607	0.282	4	108.3607	0.079	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.5827	0.794	6	108.8641	0.279	17	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0175	0.240	11	108.8641	0.279	17	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.9580	1.102	4	107.4714	12.880	91	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	101.5604	3.885	18	107.4714	12.880	91	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.1170	1.844	31	107.4714	12.880	91	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7724	0.544	38	107.4714	12.880	91	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.7905	0.023	2	109.7905	0.001	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	H(CC[6a]HS)	100.2012	0.750	4	100.2012	0.563	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HS)	108.1283	0.491	3	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]HS)	108.8255	0.245	4	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HS)	108.2200	0.069	2	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.7298	0.727	32	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HS)	108.4292	0.454	4	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HS)	108.6722	0.276	13	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.9479	0.512	8	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5767	1.107	429	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|O<2>}	H(CC[6a]HS)	109.0047	0.155	6	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HS)	109.3040	0.345	2	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|N<2>,2|H<1>}	H(CC[6a]HS)	110.6635	0.021	2	109.4572	1.184	505	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4770	0.185	3	109.4770	0.034	3	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.2261	0.127	9	110.2261	0.016	9	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5,6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.7343	0.252	3	109.7343	0.063	3	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.5930	0.201	2	108.5930	0.040	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.6660	0.386	12	108.6660	0.149	12	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.8043	0.080	3	109.6826	0.290	27	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.7923	0.463	24	109.6826	0.290	27	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	H(CC[6a]HS)	109.4052	0.793	10	109.4052	0.629	10	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.7880	0.045	2	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HS)	109.4320	0.000	1	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HS)	110.5755	0.005	2	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	108.5725	0.043	2	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8924	1.183	28	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.4890	1.232	4	109.7499	1.297	39	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	110.1680	0.018	2	110.1680	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.9540	0.059	2	109.9540	0.004	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1351	0.634	14	109.1351	0.402	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HS)	109.6495	0.012	2	109.8207	0.147	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.8492	0.409	12	109.8207	0.147	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	108.8530	0.000	1	108.8530	0.000	1	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6075	0.019	2	109.6075	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]F)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]F)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7650	0.033	2	108.7650	0.001	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6322	0.719	4	109.6322	0.516	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	H(CC[6a]HS)	109.1852	0.616	6	109.1852	0.380	6	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HS)	110.4455	0.052	2	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.5461	0.156	10	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.9025	0.700	6	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4828	1.034	70	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HS)	108.5280	0.000	1	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.9650	1.065	9	109.3752	1.025	98	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.3877	1.460	4	109.7954	2.191	8	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.2030	1.592	4	109.7954	2.191	8	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	110.2013	0.229	9	110.1055	0.066	13	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8900	0.188	4	110.1055	0.066	13	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHS){1|C<3>,1|H<1>}	H(CC[6a]HS)	109.2235	0.025	2	109.2235	0.001	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	109.9830	0.021	2	109.5137	0.675	50	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4941	0.833	48	109.5137	0.675	50	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.7100	0.011	2	109.7100	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.1166	0.356	10	109.4462	0.366	46	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5378	0.631	36	109.4462	0.366	46	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.8625	0.243	8	109.8721	0.061	11	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.8977	0.314	3	109.8721	0.061	11	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]F)2(CHHS){1|C<3>,2|F<1>}	H(CC[6a]HS)	108.3695	0.008	2	108.3695	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	109.5040	0.000	1	109.5040	0.000	1	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	108.8455	0.112	4	108.8455	0.013	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.1027	0.360	6	110.1027	0.130	6	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.1178	1.083	13	109.6742	0.857	164	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.9425	0.647	34	109.6742	0.857	164	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.7130	0.952	108	109.6742	0.857	164	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.1658	1.091	4	109.6742	0.857	164	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|N<2>,2|H<1>}	H(CC[6a]HS)	108.8664	0.349	5	109.6742	0.857	164	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a])(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8575	0.006	2	109.8575	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCu)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCu)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.3300	0.675	6	108.3300	0.455	6	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SFe)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFe)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8070	0.297	5	108.8070	0.088	5	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SH)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SH)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8955	0.021	2	108.8955	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIn[4])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIn[4])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7530	0.006	2	108.7530	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SMo)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMo)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1332	0.439	12	109.1332	0.193	12	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNi)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNi)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8420	0.326	7	109.8420	0.106	7	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6932	0.197	12	109.6932	0.039	12	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SP)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SP)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1306	0.670	14	109.1306	0.449	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SP[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SP[5])(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.0630	0.024	2	108.0630	0.001	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPd)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPd)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.4450	0.054	2	108.4450	0.003	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRe)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRe)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.6534	0.189	14	108.6534	0.036	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	107.8580	0.153	4	107.8580	0.023	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7300	0.038	2	108.7300	0.001	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2433	0.830	3	109.2433	0.690	3	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8325	0.145	6	108.8325	0.021	6	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.9705	0.030	2	110.1435	7.789	38	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SS)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.2086	2.855	36	110.1435	7.789	38	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SSb)(H)2	C[6a](C[6a]C[6a]C)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSb)(H)2	C[6a](C[6a]C[6a]C)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.4182	0.286	14	108.4182	0.082	14	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SSn)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSn)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8162	0.050	4	109.8162	0.003	4	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(STi)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STi)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3599	0.370	11	109.3599	0.137	11	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SW)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SW)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	107.9000	0.061	2	107.9000	0.004	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SZn)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SZn)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3235	0.013	2	109.3235	0.000	2	109.2361	2.194	1666	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:S-2:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HS)	108.7910	0.121	3	108.7910	0.015	3	108.7910	0.015	3	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SeC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a,6a]C[6a])(SeC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CSeHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]SeH)	111.6157	2.581	4	111.6157	6.663	4	111.6157	6.663	4	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSeHH){1|H<1>,2|C<3>}	H(CC[6a]SeH)	108.7275	0.025	2	108.7275	0.001	2	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.9035	0.629	13	109.2315	0.478	34	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.5031	0.660	19	109.2315	0.478	34	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){2|Se<2>,1|N<2>}	H(CC[6a]SeH)	108.7835	0.005	2	109.2315	0.478	34	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]C)2(CSeHH){1|C<3>,2|C<4>}	H(CC[6a]SeH)	108.5357	0.172	21	108.5357	0.030	21	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]Cl)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]Cl)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.2258	0.424	4	109.2258	0.179	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH){1|C<3>,2|C<4>}	H(CC[6a]SeH)	109.6485	0.526	16	109.6485	0.277	16	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	108.1125	3.889	4	108.1125	15.125	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.8109	0.158	10	108.9523	0.206	36	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|C<4>}	H(CC[6a]SeH)	108.8620	0.239	6	108.9523	0.206	36	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.0501	0.574	20	108.9523	0.206	36	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[5])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[5])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	108.9680	0.000	1	108.9680	0.000	1	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|C<4>}	H(CC[6a]SeH)	109.5465	0.009	2	110.1940	0.625	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[5a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	110.8415	0.445	2	110.1940	0.625	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	110.0523	0.952	4	110.0523	0.906	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a])(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.7792	0.719	6	109.7792	0.517	6	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeIn)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeIn)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	108.4715	0.125	2	108.4715	0.016	2	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeMo)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeMo)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	108.5310	0.000	1	108.5310	0.000	1	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeP)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeP)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSeHH){2|H<1>,3|C<3>}	H(CC[6a]SeH)	108.9630	0.334	4	108.9630	0.112	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	110.5272	0.038	4	110.5272	0.001	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.0627	0.165	3	109.0627	0.027	3	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	108.8700	0.168	4	108.8700	0.028	4	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeSe)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.0187	0.038	3	109.0187	0.001	3	109.1397	0.783	153	109.6582	1.292	9173	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	2:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHOO){1|H<1>,2|C<3>}	H(CC[6a]OO)	115.5590	0.000	1	115.5590	0.000	1	111.2193	15.344	3	111.2193	15.344	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	2:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHOO){1|C<3>,1|N<2>}	H(CC[6a]OO)	109.0495	1.562	2	109.0495	2.440	2	111.2193	15.344	3	111.2193	15.344	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:2:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	107.4230	0.000	1	107.4230	0.000	1	109.2425	3.583	4	109.2425	3.583	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:2:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC)2(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CHOO){4|C<3>}	H(CC[6a]OO)	107.7970	0.000	1	107.7970	0.000	1	109.2425	3.583	4	109.2425	3.583	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:2:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]N[6a])(OC[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHOO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]OO)	110.8750	0.141	2	110.8750	0.020	2	109.2425	3.583	4	109.2425	3.583	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	110.0740	0.000	1	110.0740	0.000	1	108.1910	2.302	10	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9818	1.448	9	107.9818	2.097	9	108.1910	2.302	10	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1130	0.000	1	109.1130	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CO)	109.5320	0.000	1	109.5320	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1385	0.421	2	108.1385	0.177	2	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CO)	108.5537	0.072	3	108.5515	0.003	4	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	108.5450	0.000	1	108.5515	0.003	4	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.0460	0.000	1	109.0460	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.2790	0.000	1	109.2790	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5570	0.000	1	109.5570	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1820	0.000	1	109.1820	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.0907	0.459	3	109.0907	0.211	3	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.5223	0.753	3	108.7417	0.571	4	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4000	0.000	1	108.7417	0.571	4	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4120	0.000	1	109.4120	0.000	1	108.8921	0.293	20	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:C-2:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC)(SC)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC)(SC)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHS){1|C<3>,1|H<1>}	H(CC[6a]CS)	105.3020	0.000	1	105.3020	0.000	1	105.3020	0.000	1	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	108.2620	0.000	1	108.2620	0.000	1	107.9395	1.074	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	106.3990	0.000	1	106.3990	0.000	1	107.9395	1.074	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:N-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NN)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHNN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]NN)	108.5485	0.060	2	108.5485	0.004	2	107.9395	1.074	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8490	0.725	2	108.8490	0.526	2	108.8490	0.526	2	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO){2|C<3>,2|N<2>}	H(CC[6a]OO)	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OC)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a,6a]2)(OC)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHOO){2|H<1>,5|C<3>}	H(CC[6a]OO)	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHOO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]OO)	111.2350	0.000	1	111.2350	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHOO){2|C<3>}	H(CC[6a]OO)	107.8345	0.124	2	107.8345	0.015	2	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	109.3920	2.718	2	109.3920	7.388	2	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]OO)	111.0500	0.000	1	111.0500	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]OO)	107.6380	0.000	1	108.2100	0.654	2	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOO){1|C<4>,2|C<3>}	H(CC[6a]OO)	108.7820	0.000	1	108.2100	0.654	2	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]OO)	110.3880	0.000	1	103.8692	54.565	9	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	103.0543	7.452	8	103.8692	54.565	9	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	118.9360	0.000	1	118.9360	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	109.1030	0.150	2	109.1030	0.022	2	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OC[6a])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	104.7950	0.000	1	104.7950	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OH)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|N<2>,2|H<1>}	H(CC[6a]OO)	108.1350	0.000	1	108.1350	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	108.4810	0.000	1	108.4810	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OO)2(H)	C[6a](C[6a]C[6a]H)2(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OO)2(H)	C[6a](C[6a]C[6a]H)2(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	107.8040	0.000	1	107.8040	0.000	1	107.2641	32.241	24	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS)	H(CC[6a]SS)	C(C[6a]C[6a]2)(SC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]SS)	108.5700	0.000	1	108.8580	0.166	2	108.9592	0.199	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS)	H(CC[6a]SS)	C(C[6a]C[6a]2)(SC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHSS){1|C<3>,2|H<1>}	H(CC[6a]SS)	109.1460	0.000	1	108.8580	0.166	2	108.9592	0.199	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])2(H)	C[6a](C[6a]C[6a]H)2(CHSS)	H(CC[6a]SS)	C(C[6a]C[6a]2)(SC[6a])2(H)	C[6a](C[6a]C[6a]H)2(CHSS){1|C<3>,2|H<1>}	H(CC[6a]SS)	109.0605	0.624	2	109.0605	0.390	2	108.9592	0.199	4	108.0755	12.167	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6320	0.000	1	108.6320	0.000	1	106.6915	7.531	2	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:N-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NN[6])(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	104.7510	0.000	1	104.7510	0.000	1	106.6915	7.531	2	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.6900	0.000	1	108.6900	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.8242	0.301	5	109.8242	0.091	5	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.9970	0.000	1	109.9970	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4750	0.000	1	109.4750	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9100	0.000	1	108.9100	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.3170	0.000	1	109.3170	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.2620	0.000	1	110.2620	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.7870	0.000	1	109.7870	0.000	1	109.6299	0.239	12	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:S-2:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:S-2:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(SC[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNS){1|C<3>,2|H<1>}	H(CC[6a]NS)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	109.0649	1.849	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9320	0.000	1	107.9320	0.000	1	107.8274	0.118	5	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0730	0.000	1	108.0730	0.000	1	107.8274	0.118	5	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1770	0.000	1	108.1770	0.000	1	107.8274	0.118	5	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6090	0.000	1	107.6090	0.000	1	107.8274	0.118	5	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:N-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3460	0.000	1	107.3460	0.000	1	107.8274	0.118	5	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.6233	1.045	3	107.6233	1.092	3	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8120	0.000	1	107.8120	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6880	0.000	1	108.6880	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5485	0.291	2	107.5485	0.084	2	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.7890	0.000	1	107.7890	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8300	0.000	1	107.8300	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4230	0.000	1	109.4230	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|N<2>,1|O<2>,3|C<3>}	H(CC[6a]CO)	109.2300	0.000	1	109.2300	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2810	3.008	4	109.2810	9.046	4	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|C<4>}	H(CC[6a]CO)	109.8290	0.000	1	109.8290	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	108.1400	0.000	1	108.1400	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3300	0.466	3	109.3300	0.217	3	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.1355	0.156	2	110.1355	0.024	2	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5540	0.000	1	109.5540	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CO)	109.0780	0.000	1	109.5467	0.252	3	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.7810	0.419	2	109.5467	0.252	3	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CO)	108.6710	0.000	1	108.6710	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5625	0.222	8	109.5625	0.049	8	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7800	0.000	1	108.7800	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0245	0.166	4	109.0245	0.028	4	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5000	0.000	1	108.5000	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0170	0.000	1	109.0170	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9140	0.470	2	108.9140	0.220	2	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5410	0.000	1	109.5410	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9705	0.218	2	108.9705	0.048	2	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5780	0.529	3	109.5780	0.280	3	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4410	0.000	1	109.4410	0.000	1	109.0458	1.126	51	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6])(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CS)	106.9750	0.000	1	106.9750	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.8730	0.000	1	108.8730	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.4410	1.935	4	108.4410	3.744	4	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CS)	107.0380	0.000	1	107.1518	0.659	12	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.1622	0.851	11	107.1518	0.659	12	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.3255	0.980	4	106.3255	0.960	4	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.6486	0.881	10	108.6486	0.777	10	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	109.0790	0.000	1	109.0790	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.1130	0.000	1	108.1130	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.4450	0.000	1	107.4450	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.4483	1.043	3	108.4483	1.089	3	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.9860	0.000	1	108.9860	0.000	1	107.8510	1.562	39	108.4823	1.587	96	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	H(CC[6a]2H)	108.2540	0.030	2	108.2540	0.001	2	108.8456	0.158	15	108.9905	0.241	21	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	H(CC[6a]2H)	108.9366	0.343	13	108.9366	0.117	13	108.8456	0.158	15	108.9905	0.241	21	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.7865	0.390	2	109.7865	0.152	2	109.7865	0.152	2	108.9905	0.241	21	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]N[6a]2)(N[5a]C[5a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	H(CC[6a]N[5a]H)	109.0445	0.018	2	109.0445	0.000	2	109.0445	0.000	2	108.9905	0.241	21	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	H(CC[6a]N[5a]H)	109.2275	0.862	2	109.2275	0.743	2	109.2275	0.743	2	108.9905	0.241	21	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(F)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]N[6a])(COO)(F)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCFH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CF)	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){2|C<3>}	H(CC[6a]CH)	109.0115	0.026	2	109.0115	0.001	2	109.0115	0.001	2	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C-3:H-1:O-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCHO){2|C<3>}	H(CC[6a]CO)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	109.0875	0.025	2	109.0875	0.001	2	109.1715	0.126	6	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	109.6025	0.026	2	109.6025	0.001	2	109.1715	0.126	6	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.8245	0.021	2	108.8245	0.000	2	109.1715	0.126	6	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]2H)	109.2830	0.033	2	109.2830	0.001	2	109.2830	0.001	2	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9145	0.976	59	108.9145	0.952	59	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.1017	1.888	9	108.1017	3.566	9	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CHHN){1|C<3>,1|C<4>}	H(CC[6a]HN)	109.0315	0.202	4	109.0315	0.041	4	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.3158	1.197	8	108.3158	1.433	8	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.6160	0.028	2	108.6160	0.001	2	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.5650	0.065	2	109.5650	0.004	2	108.7843	1.233	84	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NHS)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	H(CC[6a]HN)	108.3870	0.011	2	108.3870	0.000	2	108.3870	0.000	2	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3830	0.040	2	109.3830	0.002	2	109.3830	0.002	2	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.0305	0.025	2	109.0305	0.001	2	109.2930	0.042	6	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.4243	0.014	4	109.4243	0.000	4	109.2930	0.042	6	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SFe2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SFe2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CHHS){2|C<3>}	H(CC[6a]HS)	109.7193	1.751	18	109.7193	3.064	18	109.7193	3.064	18	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	2:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN[5a]HH){2|C<3>}	H(CC[6a]N[5a]H)	108.9455	0.011	2	108.9455	0.000	2	108.9455	0.000	2	108.9798	1.389	126	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4825	0.057	2	108.4825	0.003	2	108.4825	0.003	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[5a]HH){1|C<3>,1|C<4>}	H(CC[5a]C[6a]H)	108.1025	0.040	2	108.1025	0.002	2	108.1025	0.002	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.0415	0.032	2	109.0415	0.001	2	109.0415	0.001	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2617	0.081	3	109.2617	0.007	3	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4602	0.234	6	109.4602	0.055	6	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]P)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1370	0.000	1	108.1370	0.000	1	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7323	0.079	6	108.7323	0.006	6	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.5370	0.025	2	108.5370	0.001	2	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	110.0340	2.514	2	109.3140	4.716	3	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.8740	0.000	1	109.3140	4.716	3	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	H(CC[6a]CH)	108.9800	0.151	4	108.9800	0.023	4	109.0405	0.548	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.2810	0.007	2	108.2810	0.000	2	108.2810	0.000	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	108.9096	0.197	7	108.9834	0.051	9	108.9834	0.051	9	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.2420	0.066	2	108.9834	0.051	9	108.9834	0.051	9	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	H(CC[6a]2H)	108.5660	0.236	3	108.5660	0.056	3	108.5660	0.056	3	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]2H)	109.1100	0.072	2	109.1100	0.005	2	108.7181	0.533	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	108.6201	0.793	8	108.6201	0.630	8	108.7181	0.533	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]2H)	108.6950	0.034	2	108.8235	0.024	4	108.8235	0.024	4	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	108.9520	0.079	2	108.8235	0.024	4	108.8235	0.024	4	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,3|N<2>}	H(CC[6a]2H)	108.8010	0.559	3	108.8010	0.312	3	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5644	0.485	7	108.6026	0.317	11	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]HH){1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]2H)	108.6695	0.760	4	108.6026	0.317	11	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.8465	0.011	2	108.7167	0.138	22	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]2H)	109.2240	0.035	2	108.7167	0.138	22	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.0310	0.562	4	108.7167	0.138	22	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.5591	0.215	12	108.7167	0.138	22	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	H(CC[6a]2H)	108.3965	0.006	2	108.7167	0.138	22	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(N[6a]C[5,6a])(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]2H)	109.4310	0.000	1	109.4310	0.000	1	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]2H)	109.2150	0.023	2	109.2150	0.001	2	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	109.0680	0.096	2	109.0680	0.009	2	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]2H)	110.0440	0.013	2	110.1212	0.009	6	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]2H)	110.1598	0.093	4	110.1212	0.009	6	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.9924	0.823	10	109.5803	2.489	14	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	111.0500	2.174	4	109.5803	2.489	14	109.0762	0.915	61	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]2H)	108.9196	0.187	18	108.9196	0.035	18	108.8868	0.054	19	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]2H)	108.2980	0.000	1	108.2980	0.000	1	108.8868	0.054	19	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]N[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5527	1.344	32	108.5527	1.805	32	108.5527	1.805	32	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9218	0.625	12	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8603	0.671	20	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	108.3940	1.325	2	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.8207	0.531	12	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9626	1.226	190	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.5318	0.676	16	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	109.0369	0.197	8	108.9792	1.217	260	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9987	0.163	3	108.9987	0.027	3	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	H(CC[6a]HN)	109.2562	0.134	4	109.2562	0.018	4	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9628	0.256	17	108.9628	0.066	17	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8664	0.340	23	108.9683	0.349	136	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9290	0.653	94	108.9683	0.349	136	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.3468	0.351	17	108.9683	0.349	136	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	H(CC[6a]HN)	108.7675	0.028	2	108.9683	0.349	136	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.1960	0.132	5	109.1960	0.017	5	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CHHN){1|O<2>,2|C<3>}	H(CC[6a]HN)	109.2732	0.221	5	109.2732	0.049	5	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9025	0.030	4	108.9025	0.001	4	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1090	0.040	2	109.1090	0.002	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6827	0.279	18	108.6827	0.078	18	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.7440	0.190	4	109.1814	0.236	13	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9313	0.334	9	109.1814	0.236	13	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0579	0.144	12	109.0579	0.021	12	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2425	0.506	4	109.2425	0.256	4	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2345	0.506	10	109.2345	0.256	10	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4375	0.009	2	108.4375	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0555	0.609	4	109.0555	0.371	4	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5a]Ir)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1155	0.053	2	108.1155	0.003	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.0948	0.110	4	109.3488	0.267	16	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1835	0.254	10	109.3488	0.267	16	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.6835	0.030	2	109.3488	0.267	16	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9893	0.107	6	108.9893	0.011	6	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7002	0.124	9	109.7002	0.015	9	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5975	0.022	2	108.5975	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.8350	0.014	2	108.8350	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5718	0.307	65	108.5718	0.094	65	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>}	H(CC[6a]HN)	108.5250	0.010	2	108.5250	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6960	0.025	2	108.6960	0.001	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3180	0.004	2	108.3180	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8743	0.425	22	108.7987	0.277	70	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	109.3655	0.033	2	108.7987	0.277	70	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7380	0.566	46	108.7987	0.277	70	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7160	0.302	3	108.7160	0.091	3	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.5405	3.399	10	107.5405	11.551	10	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2737	0.874	12	109.2737	0.764	12	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NIrC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NIrC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.5695	0.022	2	109.5695	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NNiC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NNiC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0130	0.000	1	109.0130	0.000	1	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NPP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NPP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.0345	0.054	2	108.0345	0.003	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRhC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRhC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6467	0.080	3	108.6467	0.006	3	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5455	0.021	2	108.5455	0.000	2	108.9182	0.794	712	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCC)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HN)	107.6666	1.625	5	107.6666	2.639	5	107.6666	2.639	5	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]N[6a]2)(NOO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	H(CC[6a]HN)	109.8085	0.029	2	109.8085	0.001	2	109.8085	0.001	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8795	0.301	4	109.0894	0.099	20	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.1353	0.240	3	109.0894	0.099	20	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1434	0.326	13	109.0894	0.099	20	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3025	0.349	22	109.0870	0.399	103	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	109.6715	0.009	2	109.0870	0.399	103	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9235	0.493	67	109.0870	0.399	103	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.5077	1.224	12	109.0870	0.399	103	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0050	0.014	2	109.0050	0.000	2	109.0861	0.343	125	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]B[5a]C[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8040	0.006	2	108.8040	0.000	2	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.5410	0.083	5	108.5410	0.007	5	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.2230	0.178	6	108.9961	0.062	25	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9244	0.225	19	108.9961	0.062	25	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]H)	110.0807	2.624	4	110.0807	6.884	4	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.0229	0.281	11	108.9477	0.063	24	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8841	0.211	13	108.9477	0.063	24	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.2270	0.038	2	109.2270	0.001	2	109.0119	0.485	62	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CN[6]HH){4|C<3>}	H(CC[6a]N[6]H)	109.0817	0.290	3	109.0817	0.084	3	108.7336	0.258	40	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.6133	0.211	18	108.7054	0.264	37	108.7336	0.258	40	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	107.0565	0.425	2	108.7054	0.264	37	108.7336	0.258	40	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9968	0.308	17	108.7054	0.264	37	108.7336	0.258	40	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]N[6]H)	108.7070	0.690	4	108.7070	0.476	4	108.7070	0.476	4	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.0690	0.798	6	109.0690	0.637	6	109.1221	0.360	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.2018	0.063	4	109.2018	0.004	4	109.1221	0.360	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HS)	109.8930	0.844	2	109.7775	0.110	10	109.7775	0.110	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	109.7486	0.188	8	109.7775	0.110	10	109.7775	0.110	10	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	110.0312	0.054	4	110.0312	0.003	4	110.0312	0.003	4	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.7535	0.029	2	108.7535	0.001	2	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]As[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.7400	0.000	1	108.7400	0.000	1	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.2980	1.870	2	108.8826	0.270	18	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]H)	108.6810	0.020	2	108.8826	0.270	18	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8521	0.226	14	108.8826	0.270	18	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.7530	0.103	4	108.7530	0.011	4	108.8458	0.197	25	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9865	0.056	2	108.9865	0.003	2	108.9865	0.003	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.6605	0.037	2	108.6605	0.001	2	108.6605	0.001	2	108.9361	0.712	1174	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	B[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CB[5a]HH)	H(CB[5a]C[6a]H)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CB[5a]HH){1|C<3>,2|H<1>}	H(CB[5a]C[6a]H)	108.0125	0.005	4	108.0125	0.000	4	108.0125	0.000	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]Nb[3,6]N[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]Nb[3,6]N[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	109.1855	0.233	4	109.1855	0.054	4	109.1855	0.054	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]H)	108.6455	0.022	2	108.6455	0.000	2	108.6455	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0690	0.013	2	109.0690	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5920	0.030	2	108.5920	0.001	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8097	0.174	6	108.8097	0.030	6	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH){3|C<3>}	H(CC[6a]C[5]H)	108.9920	0.037	2	108.9920	0.001	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH){1|N<2>,2|F<1>}	H(CC[6a]C[5]H)	108.5733	0.018	3	108.5733	0.000	3	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6810	0.316	8	108.6810	0.100	8	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1220	0.000	1	109.1220	0.000	1	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7747	0.347	40	108.7747	0.121	40	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0767	0.351	3	109.0767	0.123	3	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7955	0.008	2	108.7955	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	109.0662	0.184	4	108.8346	0.180	12	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7188	0.471	8	108.8346	0.180	12	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8570	0.014	2	108.8570	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.1750	0.007	2	109.1750	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2255	0.037	2	109.2255	0.001	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9600	0.014	2	108.9600	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1575	0.015	2	109.1575	0.000	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8390	0.006	2	108.6542	0.522	12	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6172	0.793	10	108.6542	0.522	12	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.4350	0.042	2	109.4350	0.002	2	108.8166	0.158	105	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]HH){2|H<1>,5|C<3>}	H(CC[5a]C[6a]H)	109.8815	0.245	2	109.8815	0.060	2	109.8815	0.060	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.6837	0.098	3	108.6837	0.010	3	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.1760	0.006	2	108.1760	0.000	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.5518	0.258	6	108.5518	0.067	6	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.7916	0.424	10	108.7916	0.180	10	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.5040	0.000	1	108.6430	0.110	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|C<4>}	H(CC[5a]C[6a]H)	108.2890	0.000	1	108.6430	0.110	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.6613	0.336	27	108.6430	0.110	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.8125	0.218	2	108.8125	0.048	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]HH){1|H<1>,2|C<3>}	H(CC[5a]C[6a]H)	108.4570	0.025	2	108.4570	0.001	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.3105	0.197	4	108.3105	0.039	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.1250	0.040	2	109.1250	0.002	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	107.8893	1.192	4	107.8893	1.420	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.2545	0.029	2	109.2545	0.001	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]H)	108.0045	0.071	2	108.4972	0.174	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.5629	0.411	25	108.4972	0.174	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]H)	108.1680	0.030	2	108.4972	0.174	29	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5a]C[6a]H)	110.3295	0.043	2	110.3295	0.002	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.4715	0.005	2	108.3715	0.014	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.2715	0.035	2	108.3715	0.014	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]H)	108.4000	0.023	2	108.7550	0.378	3	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.4650	0.000	1	108.7550	0.378	3	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.7500	0.057	2	108.7500	0.003	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.3920	0.000	1	108.3920	0.000	1	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]H)	108.2805	0.012	2	109.1432	1.100	6	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.5745	1.043	4	109.1432	1.100	6	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.3785	0.032	2	108.3785	0.001	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]HH){1|C<3>,1|C<4>}	H(CC[5a]C[6a]H)	108.6403	0.370	8	108.6403	0.137	8	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.4460	0.018	2	108.7148	0.105	51	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.7258	0.326	49	108.7148	0.105	51	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5a]C[6a]H)	107.8033	0.716	3	107.8033	0.512	3	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	H(CC[5a]C[6a]H)	109.5970	0.146	3	109.2894	0.188	5	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.8280	0.013	2	109.2894	0.188	5	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.4966	0.288	8	108.4966	0.083	8	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.8319	0.275	10	108.8319	0.075	10	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	108.9922	0.134	5	108.9922	0.018	5	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.5060	0.247	4	108.5060	0.061	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.1543	0.119	4	109.1543	0.014	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.6723	0.267	6	108.6723	0.071	6	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.1580	0.034	2	108.1580	0.001	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.6835	0.043	2	108.6835	0.002	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]H)	109.0325	0.062	2	109.0325	0.004	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.8605	0.016	2	108.8605	0.000	2	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.9790	0.454	50	108.9587	0.209	52	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]H)	108.4520	0.011	2	108.9587	0.209	52	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	109.1635	1.496	4	109.1635	2.239	4	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]C[6a]H)	109.2165	0.019	2	108.9753	0.232	8	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]H)	108.8948	0.542	6	108.9753	0.232	8	108.7418	0.257	291	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.1330	0.582	3	109.1330	0.338	3	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2360	0.011	2	108.2360	0.000	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6710	0.331	8	108.6710	0.110	8	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8395	0.033	2	108.8395	0.001	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7630	0.023	2	108.7630	0.001	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.1990	0.007	2	109.1990	0.000	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.5941	0.460	8	109.5941	0.212	8	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.8750	0.041	2	109.8750	0.002	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	107.1455	0.012	2	107.1455	0.000	2	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	107.0618	2.281	4	107.0618	5.201	4	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7595	0.115	16	108.7595	0.013	16	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8955	0.105	4	108.8955	0.011	4	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8785	0.165	4	108.8785	0.027	4	108.7649	0.779	59	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(AsCI)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsCI)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	H(CC[6a]AsH)	108.5785	1.168	4	108.5785	1.365	4	108.8856	1.724	24	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsCP)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	H(CC[6a]AsH)	109.2526	1.948	8	109.2526	3.795	8	108.8856	1.724	24	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(AsC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	H(CC[6a]AsH)	108.8191	0.800	8	108.8191	0.640	8	108.8856	1.724	24	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:As-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(AsClC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsClC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CAsHH){1|H<1>,4|C<3>}	H(CC[6a]AsH)	108.5915	0.943	4	108.5915	0.889	4	108.8856	1.724	24	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]N)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH){2|C<4>,3|C<3>}	H(CC[6a]BH)	107.1720	0.024	2	107.1720	0.001	2	108.2518	3.548	9	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]N[5])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CBHH){2|C<4>,3|C<3>}	H(CC[6a]BH)	108.7463	2.857	4	108.7463	8.163	4	108.2518	3.548	9	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:B-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BOsH)(H)2	C[6a](C[6a]C[6a]H)2(CBHH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BOsH)(H)2	C[6a](C[6a]C[6a]H)2(CBHH){1|C<3>,2|H<1>}	H(CC[6a]BH)	108.3123	0.535	3	108.3123	0.286	3	108.2518	3.548	9	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.7890	0.000	1	108.7890	0.000	1	108.5830	0.085	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(COO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.3770	0.000	1	108.3770	0.000	1	108.5830	0.085	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.7670	1.740	4	108.7670	3.029	4	108.7338	2.713	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.2770	0.000	1	108.2770	0.000	1	108.7338	2.713	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.7986	1.943	5	108.7986	3.774	5	108.7338	2.713	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]O)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.3005	0.333	2	109.3005	0.111	2	108.7304	1.224	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CNO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	108.4070	0.184	2	108.4070	0.034	2	108.7304	1.224	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CN[5]O)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	110.3290	0.000	1	110.3290	0.000	1	108.7304	1.224	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	106.7910	0.000	1	106.7910	0.000	1	108.7304	1.224	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(COO)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	108.5780	0.000	1	108.5780	0.000	1	108.7304	1.224	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CH)	108.9215	0.179	4	108.9215	0.032	4	108.9215	0.032	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(CC[6a]CH)	109.3290	0.007	2	109.3290	0.000	2	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]CH)	109.5708	0.062	4	109.4100	0.065	6	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]CH)	109.0885	0.042	2	109.4100	0.065	6	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CH)	109.7310	0.000	1	109.7310	0.000	1	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	109.3455	0.039	2	109.3455	0.002	2	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(COO)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH){1|O<2>,4|C<3>}	H(CC[6a]CH)	108.3545	0.025	2	108.3545	0.001	2	109.2499	0.195	13	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|P<4>,3|C<3>}	H(CC[6a]CH)	109.7095	0.026	2	109.7095	0.001	2	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.2100	0.441	2	109.2100	0.195	2	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6a]CH)	109.5295	3.062	2	109.5295	9.379	2	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.9880	0.583	4	108.9880	0.340	4	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.7210	0.024	2	108.7210	0.001	2	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH){1|N<3>,3|C<3>}	H(CC[6a]CH)	109.1050	0.020	2	109.1050	0.000	2	109.1787	0.922	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	108.8530	0.017	2	108.8530	0.000	2	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){1|C<4>,3|C<3>}	H(CC[6a]CH)	109.4480	0.011	2	109.4480	0.000	2	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CCHH){1|C<4>,3|C<3>}	H(CC[6a]CH)	109.3150	0.337	11	109.3150	0.113	11	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1405	0.023	2	109.1405	0.001	2	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CH)	109.0490	0.000	1	109.0215	0.011	4	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0855	0.006	2	109.0215	0.011	4	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	108.8660	0.000	1	109.0215	0.011	4	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]O[6a]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.5785	0.013	2	109.5785	0.000	2	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(COO)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	108.9717	0.044	3	108.9717	0.002	3	109.2118	0.090	26	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CCHH){1|C<4>,4|C<3>}	H(CC[6a]CH)	109.0273	0.063	6	109.0273	0.004	6	109.0273	0.004	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CBrC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CBrC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,5|C<3>}	H(CC[6a]CH)	109.7555	0.083	2	109.7555	0.007	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.0930	0.007	2	109.0930	0.000	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.2795	0.006	2	108.2795	0.000	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>,2|O<2>}	H(CC[6a]CH)	109.0511	0.712	9	109.1347	0.440	11	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.5110	0.045	2	109.1347	0.440	11	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	H(CC[6a]CH)	108.2350	0.000	1	108.2350	0.000	1	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.4025	0.015	2	108.4025	0.000	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.2319	0.634	23	109.2319	0.401	23	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]N)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.5760	0.065	2	108.5760	0.004	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.8250	0.638	3	109.8250	0.407	3	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.0831	0.413	17	109.0831	0.170	17	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.7985	0.030	4	108.7985	0.001	4	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.6965	0.005	2	108.6965	0.000	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.8880	0.035	2	108.7060	0.071	41	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	108.8127	0.063	3	108.7060	0.071	41	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.6870	0.278	36	108.7060	0.071	41	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,5|C<3>}	H(CC[6a]CH)	108.4703	0.194	4	108.4703	0.038	4	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.9285	0.019	2	108.9285	0.000	2	108.9358	0.271	118	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.6880	0.000	1	108.6880	0.000	1	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.2267	0.014	3	108.2267	0.000	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.1325	0.017	4	109.1325	0.000	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0468	0.493	4	109.0468	0.243	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	108.3150	0.000	1	108.7520	0.267	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8977	0.522	3	108.7520	0.267	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8955	0.554	6	108.7810	0.222	9	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.5520	0.054	3	108.7810	0.222	9	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]F)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.4275	0.050	2	108.4275	0.003	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]CH)	108.2280	0.040	2	108.2280	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8390	0.601	4	108.8390	0.361	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9025	0.161	4	108.9828	13.779	20	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.4379	0.789	8	108.9828	13.779	20	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.5678	6.003	8	108.9828	13.779	20	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5405	0.004	2	108.4604	0.333	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4278	0.638	41	108.4604	0.333	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	108.6027	0.171	6	108.4604	0.333	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.6215	0.062	2	108.4604	0.333	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.2035	0.011	2	109.2035	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.2420	0.013	2	108.2420	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.2220	0.025	2	109.2220	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<2>,1|H<1>,4|C<3>}	H(CC[6a]CH)	108.6637	0.103	3	108.6637	0.011	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.0130	0.004	2	109.0130	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.0950	0.007	2	109.0950	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.2827	0.098	3	109.2827	0.010	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6945	0.040	2	108.6945	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH){3|C<3>}	H(CC[6a]CH)	108.8841	0.244	10	108.8841	0.059	10	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(CCHH){3|C<3>}	H(CC[6a]CH)	108.7720	0.004	2	108.7720	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.8845	0.122	8	108.9321	0.104	22	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9937	0.439	10	108.9321	0.104	22	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){3|C<3>}	H(CC[6a]CH)	108.8735	0.307	4	108.9321	0.104	22	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHH){1|C<2>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.4637	0.029	3	108.4637	0.001	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9456	0.329	9	108.9755	0.091	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1105	0.009	2	108.9755	0.091	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7470	0.033	4	108.8330	0.009	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.9355	0.039	2	108.8330	0.009	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9025	0.030	2	108.8330	0.009	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6a]CH)	106.4810	0.222	2	106.4810	0.049	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]CH)	108.3103	0.364	3	108.3103	0.133	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7405	0.036	2	109.0626	0.285	18	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1130	0.087	3	109.0626	0.285	18	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.5475	0.376	4	109.0626	0.285	18	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3462	0.548	9	109.0626	0.285	18	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.9635	0.026	2	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.7775	0.005	2	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.1145	0.156	4	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7163	0.308	4	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.6855	0.300	4	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8876	0.615	16	108.8671	0.220	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.4860	4.028	2	109.4860	16.222	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.4000	0.653	5	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.2783	0.426	3	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8648	0.494	57	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.5525	0.417	13	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7283	0.440	29	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.0460	0.000	1	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	110.5871	2.257	8	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.6876	0.420	10	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|O<3>,2|C<3>}	H(CC[6a]CH)	109.1190	0.000	1	108.9305	0.697	127	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2635	0.023	2	109.2635	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.5695	0.018	2	109.1410	0.245	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7125	0.028	2	109.1410	0.245	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	109.2188	0.134	4	109.2188	0.018	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3400	0.040	2	108.3400	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	106.1425	0.016	2	106.1425	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	110.7400	0.049	4	110.7400	0.002	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4965	0.082	4	109.4965	0.007	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.1545	0.009	2	108.8211	0.157	43	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7415	0.009	2	108.8211	0.157	43	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8594	0.385	39	108.8211	0.157	43	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1510	0.364	7	109.1510	0.132	7	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	108.3508	0.027	4	108.3508	0.001	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0165	0.091	2	109.0165	0.008	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.7100	2.368	20	108.7495	3.642	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5360	0.221	2	108.7495	3.642	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.8710	0.820	10	108.7495	3.642	32	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5490	0.000	1	108.5490	0.000	1	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]CH)	108.5430	0.008	2	108.5430	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.9229	0.277	12	108.9229	0.077	12	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5930	0.013	2	108.5930	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.2370	0.630	7	108.7179	1.262	83	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.4865	0.013	2	108.7179	1.262	83	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6222	1.162	72	108.7179	1.262	83	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.5760	0.010	2	108.7179	1.262	83	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){2|C<4>,3|C<3>}	H(CC[6a]CH)	108.3240	0.049	2	108.3240	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7035	0.023	2	108.7035	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5365	0.033	2	109.5365	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2330	0.040	2	109.2330	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6538	0.404	10	108.6538	0.163	10	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0860	0.304	4	109.0860	0.092	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]C[6])(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]C[6])(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3297	0.195	3	108.3297	0.038	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9280	0.061	2	108.9280	0.004	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0395	0.125	2	109.0395	0.016	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.0176	1.905	5	110.0176	3.630	5	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]O)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]O)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7565	0.008	2	108.7565	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9250	0.191	2	108.9250	0.036	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9668	0.094	4	108.9668	0.009	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.5430	0.222	2	109.5430	0.049	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.8235	0.013	2	108.8235	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7870	0.483	4	108.7870	0.234	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4870	0.435	8	109.4870	0.189	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9717	0.101	3	108.9717	0.010	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3385	0.117	13	108.3385	0.014	13	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7230	0.010	2	108.7230	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8365	0.494	4	108.8365	0.244	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8155	0.035	2	108.8155	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.4488	2.254	4	110.4488	5.079	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6140	0.347	4	108.6140	0.121	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.4785	0.019	2	108.4785	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.2201	0.290	7	108.2201	0.084	7	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.2900	0.000	1	109.2900	0.000	1	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8949	0.605	9	108.8465	0.304	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	108.6290	0.011	2	108.8465	0.304	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.6545	0.077	2	108.6545	0.006	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.6785	0.036	2	108.6785	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.0660	0.010	2	109.0660	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.7610	0.000	1	108.4509	0.241	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4199	0.505	10	108.4509	0.241	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7220	0.013	2	108.7220	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	108.9930	0.014	2	108.6089	0.136	39	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5881	0.367	37	108.6089	0.136	39	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH){1|C<2>,5|C<3>}	H(CC[6a]CH)	109.1155	0.033	2	109.1155	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.2430	0.013	2	108.2430	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CH)	108.6513	0.059	3	108.6513	0.003	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]Os)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]Os)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6605	0.036	2	108.6605	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.0890	0.040	2	108.0890	0.002	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	112.4905	0.052	2	112.4905	0.003	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.8363	2.275	4	109.8363	5.176	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|C<4>,3|C<3>}	H(CC[6a]CH)	110.8075	0.029	2	110.8075	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9344	1.163	17	108.9344	1.353	17	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){1|H<1>,6|C<3>}	H(CC[6a]CH)	108.6320	0.007	2	108.6320	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHfN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHfN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5375	0.101	4	108.5375	0.010	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CIrO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CIrO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.9355	1.003	6	109.9355	1.006	6	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CMo2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMo2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6065	0.081	2	108.6065	0.007	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.2960	0.014	2	109.0233	0.267	21	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9946	0.536	19	109.0233	0.267	21	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5455	0.023	2	108.5455	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.8465	0.012	2	109.8465	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1747	0.123	4	109.1747	0.015	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	111.4075	1.111	6	111.4075	1.235	6	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]2)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]2)2(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.9610	0.038	2	108.9610	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1262	0.708	13	109.3998	0.818	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4934	0.953	38	109.3998	0.818	51	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4045	0.105	4	109.4045	0.011	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	H(CC[6a]CH)	110.5120	0.011	2	110.5120	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CH)	108.6145	0.012	2	108.6145	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1373	0.128	7	109.1373	0.016	7	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7296	0.666	8	108.7296	0.443	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8740	0.000	1	108.8740	0.000	1	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9375	0.009	2	108.9375	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.6755	0.029	2	109.4187	0.198	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9050	0.000	1	109.4187	0.198	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6785	0.008	2	108.6785	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.8072	0.392	4	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	110.0300	0.097	4	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.0799	0.902	8	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	110.2990	1.390	2	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2189	0.649	122	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.4672	0.653	6	109.2336	0.490	146	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7055	0.101	2	108.7055	0.010	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7426	0.210	5	108.7426	0.044	5	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6186	0.264	10	108.6320	0.058	12	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.6990	0.011	2	108.6320	0.058	12	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0310	0.007	2	109.0310	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.2755	0.028	2	109.5537	0.103	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.8320	0.004	2	109.5537	0.103	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	109.9585	0.021	2	109.9585	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	109.8650	0.062	2	109.8650	0.004	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0971	0.220	8	109.0971	0.048	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4263	0.144	3	109.4263	0.021	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6,6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6,6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.0365	0.188	4	109.0365	0.035	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]N)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6147	0.088	3	108.6147	0.008	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.0295	0.800	4	109.0295	0.640	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]CH)	109.0240	0.014	2	109.0240	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0408	0.347	5	108.8946	0.074	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7728	0.113	6	108.8946	0.074	11	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3580	0.206	3	108.3580	0.043	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5440	0.387	3	108.5440	0.150	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.2510	0.054	2	108.2510	0.003	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0150	0.282	6	109.0150	0.079	6	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){2|C<3>,3|O<2>}	H(CC[6a]CH)	108.7840	0.021	2	108.7840	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.5885	0.229	8	108.5885	0.052	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1115	0.076	2	109.1115	0.006	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	110.5525	2.530	6	110.5525	6.402	6	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.1093	0.832	3	109.1093	0.692	3	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	111.1930	1.892	2	111.1930	3.580	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4347	0.136	6	108.4347	0.018	6	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	109.1730	0.013	2	109.1730	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.7754	0.332	5	108.7065	0.086	31	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8100	0.220	6	108.7065	0.086	31	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6723	0.319	10	108.7065	0.086	31	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.6441	0.303	10	108.7065	0.086	31	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8330	0.018	2	108.8330	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.4025	0.437	24	108.4238	0.181	26	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6795	0.016	2	108.4238	0.181	26	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	H(CC[6a]CH)	109.0810	0.000	1	109.0810	0.000	1	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.9445	2.113	4	109.9445	4.464	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6385	0.201	10	108.6275	0.034	12	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.5725	0.030	2	108.6275	0.034	12	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.6880	0.016	2	109.6880	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.1230	0.000	1	108.9506	0.369	95	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9525	0.616	92	108.9506	0.369	95	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|N<3>}	H(CC[6a]CH)	108.7780	0.025	2	108.9506	0.369	95	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]CH)	108.9523	0.220	3	109.1571	0.540	23	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.6685	0.069	2	109.1571	0.540	23	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	110.3017	1.280	4	109.1571	0.540	23	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9437	0.173	14	109.1571	0.540	23	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(CCHH){2|C<3>}	H(CC[6a]CH)	108.9390	0.031	2	108.9390	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.3760	0.446	3	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.0477	0.692	16	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	108.0420	0.249	4	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.6853	0.299	3	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1409	0.611	9	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	111.1097	0.808	6	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1819	1.283	215	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.1981	0.351	8	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6240	0.000	1	109.1523	1.536	265	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	109.3885	0.030	2	109.3885	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6925	0.006	2	108.6925	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0360	0.013	2	109.0360	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COsO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COsO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5390	0.098	2	109.5390	0.010	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5440	0.071	2	109.5440	0.005	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6550	0.655	8	108.6550	0.429	8	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6958	0.522	4	108.6958	0.273	4	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3770	0.020	2	109.3770	0.000	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6485	0.035	2	108.6485	0.001	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTaN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTaN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7880	5.353	2	109.7880	28.652	2	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CZrN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CZrN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0652	0.261	13	109.0652	0.068	13	108.9802	1.012	1669	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]CH)	108.6935	0.022	2	108.7578	0.006	4	109.5863	1.399	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]CH)	108.8220	0.011	2	108.7578	0.006	4	109.5863	1.399	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]CH)	109.3800	0.014	2	110.4147	1.428	4	109.5863	1.399	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	H(CC[6a]CH)	111.4495	0.049	2	110.4147	1.428	4	109.5863	1.399	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](N[6a]C[6a]Rh)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(COO)(H)2	C[6a](N[6a]C[6a]Rh)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]CH)	109.3083	0.141	4	109.3083	0.020	4	109.3083	0.020	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.4215	0.713	4	107.4215	0.508	4	107.4215	0.508	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]HH){2|H<1>,5|C<3>}	H(CC[6a]C[5]H)	109.2583	0.127	4	109.2583	0.016	4	109.2583	0.016	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.6485	0.005	2	108.6485	0.000	2	108.7335	0.010	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]N[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.8185	0.023	2	108.8185	0.001	2	108.7335	0.010	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4845	0.009	2	108.4845	0.000	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]C[5]H)	109.3520	0.014	2	109.3520	0.000	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.7390	0.047	2	109.0399	0.096	10	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1151	0.302	8	109.0399	0.096	10	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6085	0.005	2	108.6085	0.000	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	109.1775	0.005	2	109.1775	0.000	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.1758	0.652	11	108.1758	0.425	11	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4969	0.437	45	108.4969	0.191	45	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2160	0.031	2	109.2160	0.001	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1035	0.037	2	109.1035	0.001	2	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8882	0.185	4	108.6015	0.714	28	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5537	0.904	24	108.6015	0.714	28	108.5983	0.384	106	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH){1|C<4>,3|C<3>}	H(CC[5a]C[6a]H)	109.1370	0.359	2	109.1370	0.129	2	109.1370	0.129	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]H)	108.4330	0.016	2	108.4330	0.000	2	108.5447	0.013	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]H)	108.4770	0.030	2	108.4770	0.001	2	108.5447	0.013	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a,6]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]H)	108.7015	0.059	2	108.7015	0.003	2	108.5447	0.013	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]C[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]H)	108.5675	0.026	2	108.5675	0.001	2	108.5447	0.013	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|S<2>,2|C<4>}	H(CC[6a]C[6]H)	109.3110	0.276	2	109.3110	0.076	2	109.3110	0.076	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.2960	0.031	2	108.2960	0.001	2	108.2642	0.196	5	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6]HH){2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.2430	0.624	3	108.2430	0.390	3	108.2642	0.196	5	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6]HH){1|C<4>,2|C<3>}	H(CC[6a]C[6]H)	107.8930	0.006	2	107.8930	0.000	2	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.3685	0.069	2	108.4343	0.015	3	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5660	0.000	1	108.4343	0.015	3	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	110.5805	0.211	2	110.5805	0.045	2	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]C[6]H)	109.6915	0.045	2	109.6915	0.002	2	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	107.5014	1.883	5	107.5014	3.547	5	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	108.8556	0.366	53	108.9284	0.394	187	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]C[6]H)	107.9400	1.776	2	108.9284	0.394	187	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.4406	0.243	46	108.9284	0.394	187	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.7540	0.714	75	108.9284	0.394	187	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5059	0.654	11	108.9284	0.394	187	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.5960	0.000	1	108.4694	1.146	116	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.4265	1.494	2	108.4694	1.146	116	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6494	0.449	54	108.4694	1.146	116	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	H(CC[6a]C[6]H)	108.2242	1.172	53	108.4694	1.146	116	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){2|Br<1>,1|C<3>}	H(CC[6a]C[6]H)	109.0082	2.853	6	108.4694	1.146	116	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<4>,2|C<3>}	H(CC[6a]C[6]H)	108.2440	0.018	2	108.2440	0.000	2	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6a]C[6]H)	108.9880	0.051	2	108.6478	0.155	4	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6a]C[6]H)	108.3075	0.026	2	108.6478	0.155	4	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.3657	0.613	8	109.3657	0.376	8	108.7529	0.785	331	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH)	H(CC[6a]2Br)	C(C[6a]C[6a]2)2(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]BrH){1|C<4>,2|C<3>}	H(CC[6a]2Br)	107.7615	0.018	2	107.7615	0.000	2	107.7615	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	108.0070	1.892	3	108.0070	3.580	3	108.4557	1.264	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	108.6160	0.018	2	108.6160	0.000	2	108.4557	1.264	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>}	H(CC[6a]2H)	109.0885	0.416	2	108.7977	0.340	3	108.4557	1.264	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	H(CC[6a]2H)	108.2160	0.000	1	108.7977	0.340	3	108.4557	1.264	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]2H)	108.2560	0.051	2	108.2560	0.003	2	108.7972	0.126	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]2H)	109.1407	0.069	4	109.1407	0.005	4	108.7972	0.126	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH){2|N<2>,3|C<3>}	H(CC[6a]2H)	108.7990	0.299	4	108.7990	0.090	4	108.7972	0.126	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])2(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])2(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]2H)	108.6475	0.006	2	108.6475	0.000	2	108.7972	0.126	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]2H)	109.6900	0.049	3	109.6900	0.002	3	109.1977	0.220	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	H(CC[6a]2H)	108.9867	0.395	7	108.9867	0.156	7	109.1977	0.220	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]2H)	107.8095	0.050	2	107.8095	0.003	2	108.4963	0.630	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(CC[6a]2H)	109.1830	0.018	2	109.1830	0.000	2	108.4963	0.630	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	H(CC[6a]2H)	108.7920	0.007	2	108.7992	0.154	6	108.5353	0.349	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]2H)	108.8028	0.506	4	108.7992	0.154	6	108.5353	0.349	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]2H)	107.7435	0.046	2	107.7435	0.002	2	108.5353	0.349	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	107.7820	0.038	2	107.7820	0.001	2	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]2H)	108.3415	0.137	4	108.3415	0.019	4	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	108.4137	0.028	4	108.4137	0.001	4	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]2H)	109.1810	0.008	2	108.5453	0.261	6	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	108.3810	0.020	2	108.5453	0.261	6	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	108.0740	0.008	2	108.5453	0.261	6	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	108.5320	0.072	4	108.4702	0.026	24	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	108.4579	0.171	20	108.4702	0.026	24	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]2H)	108.4980	0.008	2	108.4980	0.000	2	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]2H)	108.6322	0.484	4	108.6322	0.234	4	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	112.5455	2.077	2	112.5455	4.313	2	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]2H)	109.0685	0.016	2	109.0685	0.000	2	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	108.4123	0.041	3	108.4123	0.002	3	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	108.5908	1.082	12	108.2118	0.493	245	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	108.1870	0.723	145	108.2118	0.493	245	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	108.2008	0.589	88	108.2118	0.493	245	108.2853	0.567	298	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	110.0820	0.017	2	110.0820	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	107.3980	2.121	2	107.9807	1.108	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]2H)	108.3065	0.136	2	107.9807	1.108	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.2375	0.022	2	107.9807	1.108	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.6395	0.015	2	108.6395	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5108	0.238	4	108.5108	0.057	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	109.1093	0.097	3	109.1093	0.009	3	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.6252	0.429	5	108.6252	0.184	5	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.2579	0.736	10	109.2579	0.542	10	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	109.6817	0.030	4	109.6817	0.001	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5863	0.314	4	108.8118	0.181	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	109.2630	0.016	2	108.8118	0.181	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.4870	0.800	4	108.4870	0.640	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.0795	0.067	2	108.0795	0.005	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]2H)	108.4570	0.055	4	108.4570	0.003	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.0840	0.000	1	108.0840	0.000	1	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5948	0.317	16	108.5948	0.100	16	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.4926	0.197	20	108.4926	0.039	20	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.8197	0.158	4	108.8197	0.025	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.8981	0.391	16	108.8981	0.153	16	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	109.9059	0.740	14	109.9059	0.548	14	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]2H)	108.7833	2.092	4	108.3874	2.055	8	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	107.9915	0.048	4	108.3874	2.055	8	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.7877	0.070	3	108.7877	0.005	3	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]2H)	109.2015	1.375	2	109.2015	1.892	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]2H)	108.7810	0.192	12	109.0406	0.198	17	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	109.6638	0.053	5	109.0406	0.198	17	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.5210	0.336	12	108.5210	0.113	12	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.3345	3.478	2	108.3345	12.098	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2H)	110.0842	0.324	4	109.6376	0.274	8	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	109.1910	0.057	4	109.6376	0.274	8	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	109.9083	1.039	12	109.9083	1.080	12	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.6455	0.022	2	108.6455	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]HH){5|C<3>}	H(CC[6a]2H)	108.3025	0.005	2	108.3025	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CC[6a]HH){1|O<2>,2|C<3>}	H(CC[6a]2H)	108.0230	0.013	2	108.0230	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	109.3393	0.385	6	109.3393	0.148	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.4543	0.433	4	108.4543	0.187	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	109.3340	0.008	2	109.3340	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	109.2305	0.022	2	109.2305	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]2H)	108.3700	0.041	3	108.3700	0.002	3	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.2608	0.080	4	108.2608	0.006	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	108.7399	0.375	29	108.7399	0.141	29	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]2H)	109.0375	3.024	2	109.0375	9.146	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]2H)	110.2245	0.006	2	109.4001	0.270	33	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]2H)	109.1055	0.033	2	109.4001	0.270	33	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]2H)	109.1507	0.304	23	109.4001	0.270	33	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]2H)	110.1795	0.036	6	109.4001	0.270	33	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH){1|C<2>,1|H<1>,5|C<3>}	H(CC[6a]2H)	108.5880	0.051	2	108.5287	0.156	10	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]2)2(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]2H)	108.5139	0.447	8	108.5287	0.156	10	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]HH){1|C<3>,2|F<1>}	H(CC[6a]2H)	109.4330	0.014	2	109.4330	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]2H)	108.0315	0.029	2	108.0315	0.001	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]2H)	109.1276	0.269	23	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.8221	0.497	15	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	108.9565	0.568	388	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]2H)	109.4115	0.217	6	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.9956	0.531	8	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.9603	0.691	48	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|O<2>}	H(CC[6a]2H)	108.8270	1.126	16	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]2H)	108.3948	0.082	6	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|F<1>,1|H<1>,1|N<2>}	H(CC[6a]2H)	108.6700	0.034	2	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.8324	0.469	12	108.9520	0.345	524	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2H)	108.2175	1.668	2	108.0917	0.770	37	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	108.0467	1.254	12	108.0917	0.770	37	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	110.2100	0.000	1	108.0917	0.770	37	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]2H)	108.0085	0.374	22	108.0917	0.770	37	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]2H)	107.5131	0.159	34	107.8434	1.418	126	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	106.8393	0.044	4	107.8434	1.418	126	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	107.9763	1.371	86	107.8434	1.418	126	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.7515	0.029	2	107.8434	1.418	126	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]2H)	109.4010	0.040	2	109.4010	0.002	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]2H)	109.2583	1.894	9	109.2484	1.379	22	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]2H)	109.2799	0.053	12	109.2484	1.379	22	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,3|O<2>}	H(CC[6a]2H)	108.7810	0.000	1	109.2484	1.379	22	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]HH){2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]2H)	108.7890	0.048	2	108.7890	0.002	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]2H)	109.0759	1.298	10	109.1370	1.398	12	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]2H)	109.4425	0.012	2	109.1370	1.398	12	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.5746	0.521	8	108.5578	0.139	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5444	0.226	10	108.5578	0.139	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.0394	0.321	5	109.0394	0.103	5	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	109.3180	0.007	2	109.3180	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.7040	0.021	2	108.7040	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.0990	0.018	2	108.8999	0.381	17	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.5012	0.660	4	108.8999	0.381	17	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.1905	0.441	11	108.8999	0.381	17	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]2H)	108.8407	0.652	82	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]2H)	109.0978	1.063	20	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	H(CC[6a]2H)	108.9386	0.280	8	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.9369	0.759	1127	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]2H)	109.6013	0.171	23	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]2H)	109.0995	0.325	4	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]2H)	109.1741	0.724	102	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2H)	109.1720	0.424	21	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]2H)	109.7246	0.209	14	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]2H)	109.3469	0.503	36	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]2H)	109.0869	0.734	70	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2H)	108.2927	4.030	16	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	109.1619	0.678	1047	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.9556	0.787	1312	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.6999	0.575	55	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]2H)	109.3113	0.501	230	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.8220	0.253	16	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.9456	0.207	17	109.0316	0.599	4200	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.2461	0.072	8	108.4887	1.742	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.5398	1.450	38	108.4887	1.742	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.0049	0.567	7	109.0049	0.321	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|Cl<1>,1|N<2>}	H(CC[6a]2H)	108.6300	0.018	3	108.6157	0.017	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]HH){1|N<3>,1|O<1>}	H(CC[6a]2H)	108.6013	0.203	3	108.6157	0.017	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]F)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]2H)	108.6908	0.044	4	108.6908	0.002	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]2H)	108.6362	0.297	6	108.6298	0.064	9	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]2H)	108.6170	0.188	3	108.6298	0.064	9	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.6509	0.414	17	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]2H)	110.2578	1.529	6	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2H)	108.5070	0.397	4	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	108.6970	0.028	3	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<4>}	H(CC[6a]2H)	108.5590	2.670	2	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.9071	1.420	58	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.7722	0.858	460	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|O<2>}	H(CC[6a]2H)	107.7834	0.515	9	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.8395	0.167	4	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.7704	0.261	26	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|N<2>,2|H<1>}	H(CC[6a]2H)	109.3020	0.020	2	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|O<2>,2|C<3>}	H(CC[6a]2H)	108.9495	0.238	2	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	H(CC[6a]2H)	108.3093	0.029	4	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){3|C<3>}	H(CC[6a]2H)	108.2790	0.016	3	108.7761	0.843	600	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]2H)	109.3785	0.011	2	109.3785	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]2H)	108.3400	0.048	2	109.0100	0.983	15	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]2H)	109.2095	1.725	4	109.0100	0.983	15	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2H)	107.9700	0.028	2	109.0100	0.983	15	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]2H)	109.3846	0.324	7	109.0100	0.983	15	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]2H)	109.4052	0.349	4	109.4052	0.122	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH){1|C<2>,1|N<3>,5|C<3>}	H(CC[6a]2H)	108.6180	0.000	1	108.6180	0.000	1	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]2H)	109.5373	0.982	6	109.2636	0.678	21	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,4|C<4>}	H(CC[6a]2H)	109.1541	0.762	15	109.2636	0.678	21	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[6a]HH){4|C<3>}	H(CC[6a]2H)	111.2570	0.307	2	111.2570	0.094	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH){3|C<3>}	H(CC[6a]2H)	108.1045	0.028	2	108.1045	0.001	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2H)	108.8937	0.390	20	108.5668	0.168	60	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2H)	108.4807	0.342	28	108.5668	0.168	60	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]2H)	108.2600	0.060	8	108.5668	0.168	60	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O)2(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]2H)	108.1492	0.078	4	108.5668	0.168	60	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[4])(C[6a]C[6a]H)(CC[6a]HH){1|In<4>,1|In<5>,1|C<3>,2|H<1>}	H(CC[6a]2H)	108.9073	0.080	7	108.9073	0.006	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]S)(CC[6a]HH){1|C<2>,3|C<3>}	H(CC[6a]2H)	107.7640	0.055	2	107.7640	0.003	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	110.2230	0.020	2	110.2230	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.6390	0.379	6	109.6390	0.143	6	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]2H)	110.6750	2.421	4	110.6750	5.862	4	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]2H)	108.7640	0.038	2	108.8179	0.004	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]2H)	108.8394	0.062	5	108.8179	0.004	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	H(CC[6a]2H)	108.1805	0.559	10	108.1805	0.313	10	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]2H)	109.6317	0.145	8	109.6317	0.021	8	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]O)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(H)2	C[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]2H)	109.2175	0.013	2	109.2175	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.2490	0.004	2	109.2490	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.8240	0.000	1	108.8240	0.000	1	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.3240	0.016	2	109.3240	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.6857	0.800	12	108.6857	0.640	12	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.8510	0.035	2	108.6706	0.017	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.5984	0.052	5	108.6706	0.017	7	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.5345	0.013	2	109.0196	0.432	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2H)	108.9342	0.117	4	109.0196	0.432	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	108.1750	0.082	4	109.0196	0.432	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	109.1499	0.683	34	109.0196	0.432	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	109.1505	0.006	2	109.0196	0.432	46	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.9620	0.007	2	108.9620	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.9000	0.013	2	108.9000	0.000	2	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	108.9670	0.008	2	108.9517	0.097	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2H)	108.9252	0.218	4	108.9517	0.097	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]2H)	108.7973	0.419	6	108.9517	0.097	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2H)	109.1187	0.248	6	108.9517	0.097	18	108.9557	0.664	6180	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	H(CC[6a]2H)	107.2735	0.347	2	107.2735	0.121	2	108.4107	0.421	18	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]2H)	108.7790	0.004	2	108.7790	0.000	2	108.4107	0.421	18	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	H(CC[6a]2H)	108.5455	0.021	2	108.5455	0.000	2	108.4107	0.421	18	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	H(CC[6a]2H)	108.5182	0.372	8	108.5182	0.138	8	108.4107	0.421	18	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	H(CC[6a]2H)	108.5127	1.007	4	108.5127	1.013	4	108.4107	0.421	18	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	105.9870	1.468	3	105.9870	2.156	3	106.0057	0.872	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]O)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]O)2(CC[6a]HO){1|C<3>,2|C<4>}	H(CC[6a]2O)	106.0243	0.151	3	106.0243	0.023	3	106.0057	0.872	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6a]HN)	108.4505	0.419	8	108.4505	0.175	8	108.6462	0.184	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.8685	0.041	4	108.8685	0.002	4	108.6462	0.184	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN){1|Se<2>,1|H<1>,2|C<3>}	H(CC[6a]HN)	109.1975	0.110	2	109.1975	0.012	2	108.6462	0.184	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	108.4083	0.098	9	108.4083	0.010	9	108.6462	0.184	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HN)	109.5030	0.011	2	109.5030	0.000	2	108.6462	0.184	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	108.6160	0.164	4	108.6160	0.027	4	108.6347	0.128	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	H(CC[6a]HN)	108.6440	0.435	8	108.6440	0.189	8	108.6347	0.128	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CHHN){1|In<6>,1|C<4>,2|C<3>}	H(CC[6a]HN)	109.6305	0.430	4	109.6305	0.185	4	109.4129	0.141	11	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCC)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<4>,2|C<3>}	H(CC[6a]HN)	109.2886	0.304	7	109.2886	0.092	7	109.4129	0.141	11	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6,6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN){2|C<4>,2|H<1>,4|C<3>}	H(CC[6a]HN)	108.3480	0.249	2	108.3480	0.062	2	108.3480	0.062	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.8822	0.400	51	108.8822	0.160	51	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.0917	0.486	35	109.0917	0.236	35	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCS)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.7400	0.000	1	108.7400	0.000	1	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.3410	0.040	2	109.3410	0.002	2	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.3050	0.470	7	109.3050	0.221	7	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.2410	0.023	2	108.2410	0.001	2	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.2330	0.016	2	109.2330	0.000	2	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.7123	0.215	6	109.7123	0.046	6	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NMgC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NMgC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.7350	0.061	4	108.7350	0.004	4	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NZnC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NZnC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	107.8506	0.828	12	107.8506	0.685	12	108.9027	0.383	122	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5635	0.045	2	108.5635	0.002	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|B<3>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.3845	0.029	2	108.7694	0.392	20	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HN)	108.4565	0.025	2	108.7694	0.392	20	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.2110	2.196	2	108.7694	0.392	20	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.6631	0.294	14	108.7694	0.392	20	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8953	0.408	6	108.8953	0.166	6	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	109.1033	0.214	4	109.1033	0.046	4	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCC)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HN)	109.5840	0.025	2	109.5840	0.001	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.1557	0.494	14	109.1557	0.244	14	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.9591	0.323	14	108.9591	0.104	14	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.3842	0.492	4	108.3842	0.242	4	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	108.5826	0.214	8	108.5826	0.046	8	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.1785	0.026	2	108.1785	0.001	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.6313	0.298	3	108.6313	0.089	3	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.7785	1.042	2	108.7785	1.085	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.5392	0.055	4	109.5392	0.003	4	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.1640	0.000	1	109.1640	0.000	1	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8620	0.025	2	108.8620	0.001	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]HN)	107.3285	1.231	2	107.3285	1.516	2	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NMoC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.2440	0.210	3	109.2440	0.044	3	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8360	0.000	1	108.8360	0.000	1	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NPdC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5498	0.193	4	108.5498	0.037	4	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NSS)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,3|C<3>}	H(CC[6a]HN)	108.4340	0.491	5	108.4340	0.241	5	108.8322	0.312	103	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2440	0.010	2	109.2440	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4640	0.048	2	108.4640	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5915	0.032	2	109.5915	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1723	0.186	4	108.1723	0.034	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.5377	0.818	10	109.2634	0.423	30	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1262	0.519	20	109.2634	0.423	30	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlSi)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6105	0.308	4	108.6105	0.095	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.5555	0.043	2	109.5555	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6797	0.210	12	108.6797	0.044	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.9240	0.007	2	108.9240	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	111.1779	2.287	10	111.1779	5.231	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){1|S<2>,2|C<3>,2|H<1>}	H(CC[6a]HN)	109.6775	0.033	4	108.9650	0.120	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8225	0.129	20	108.9650	0.120	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.4770	0.055	2	109.4770	0.003	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	109.0978	0.482	12	109.0978	0.232	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.5360	0.030	2	109.5360	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.3283	0.480	7	109.3283	0.231	7	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.1236	0.178	12	109.1236	0.032	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<2>}	H(CC[6a]HN)	108.9370	0.027	2	108.9370	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.8370	1.253	4	108.9363	0.603	92	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.0035	0.006	4	108.9363	0.603	92	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]HN)	108.8314	0.144	30	108.9363	0.603	92	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.9229	0.932	54	108.9363	0.603	92	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.0480	0.008	2	110.0480	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6235	1.580	2	108.7285	0.951	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.8430	2.222	2	108.7285	0.951	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7257	0.581	7	108.7285	0.951	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]HN)	109.2703	0.005	3	109.2703	0.000	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5833	0.155	7	108.5833	0.024	7	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0472	0.050	5	109.0968	0.045	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.2038	0.284	5	109.0968	0.045	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|Pt<4>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0250	0.231	4	109.0968	0.045	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9890	0.033	2	108.9582	0.427	56	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	109.2930	0.030	2	108.9582	0.427	56	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.2245	0.032	2	108.9582	0.427	56	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9329	0.687	50	108.9582	0.427	56	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.7997	0.007	3	109.7997	0.000	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2700	0.021	2	109.2700	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.9767	0.258	7	110.4111	1.948	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	111.2478	1.038	12	110.4111	1.948	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8805	0.011	2	108.8805	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HN)	108.2740	0.627	8	108.2740	0.393	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2080	0.000	1	109.2080	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0380	0.058	2	109.0380	0.003	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.9722	0.488	17	109.1914	0.187	36	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3874	0.258	19	109.1914	0.187	36	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5874	0.158	12	109.5874	0.025	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.5517	0.170	12	109.2859	1.001	74	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1575	0.022	2	109.2859	1.001	74	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2183	1.136	56	109.2859	1.001	74	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.4995	0.413	4	109.2859	1.001	74	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.4705	0.013	2	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	H(CC[6a]HN)	109.5707	0.093	6	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1336	0.096	11	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	109.0909	0.212	12	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	109.8128	0.523	6	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.7949	0.192	7	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	108.8660	0.008	2	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.3798	0.234	8	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.0913	0.446	126	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1011	1.074	64	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.0621	0.486	16	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.0580	0.510	23	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,2|C<3>}	H(CC[6a]HN)	109.2144	0.345	15	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.7440	0.480	6	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	109.1400	0.461	2	109.1157	0.391	306	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9684	0.379	51	108.9684	0.144	51	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.8525	0.008	2	108.8285	0.064	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.7569	0.209	19	108.8285	0.064	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2653	0.063	3	108.8285	0.064	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.7255	0.405	31	108.7255	0.164	31	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8704	0.376	29	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	108.4287	0.073	4	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.7802	1.925	15	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HN)	109.1213	0.185	4	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.0796	1.217	13	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.5001	1.774	11	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.0821	0.214	11	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9968	1.166	1274	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|N<3>}	H(CC[6a]HN)	109.2120	0.425	12	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.8575	0.450	43	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	109.3120	1.975	4	108.9945	1.314	1420	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]In)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]In)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2870	0.033	2	109.2870	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HN)	109.4700	0.054	2	109.3417	0.215	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.2775	0.584	4	109.3417	0.215	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]HN)	108.4315	0.006	2	108.4315	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1427	0.669	3	109.1427	0.447	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6587	0.033	4	108.6587	0.001	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2051	0.820	7	109.0150	0.150	75	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9954	0.319	68	109.0150	0.150	75	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.9928	0.066	11	109.4950	0.262	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0738	0.281	13	109.4950	0.262	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	109.2186	0.151	14	109.2613	0.032	18	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4108	0.207	4	109.2613	0.032	18	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2699	0.498	10	109.1635	0.156	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0452	0.205	9	109.1635	0.156	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9734	0.212	5	108.9734	0.045	5	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]N[6a]N)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCC)(H)2	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	H(CC[6a]HN)	108.8425	0.117	4	108.8425	0.014	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.8075	0.047	2	109.2819	0.110	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1067	0.076	6	109.2819	0.110	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.0090	0.028	2	109.0090	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	108.7670	0.011	2	108.7670	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9512	0.169	9	108.9512	0.028	9	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9545	0.023	2	107.9545	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9562	0.832	12	108.9562	0.692	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.3073	0.426	103	109.3083	0.178	105	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3570	0.038	2	109.3083	0.178	105	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3730	0.000	1	109.3730	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6945	0.022	2	109.6945	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6888	0.170	6	108.6888	0.029	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.2047	3.306	9	109.2047	10.928	9	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9911	0.276	8	108.9911	0.076	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	110.9625	0.144	2	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.6189	0.447	16	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HN)	109.4410	0.017	2	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1795	0.127	2	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1484	0.667	41	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.2290	0.000	1	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	105.6240	0.000	1	109.0155	0.690	65	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.2420	0.052	2	109.1725	0.081	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1493	0.332	6	109.1725	0.081	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9851	0.290	55	108.9851	0.084	55	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	105.3780	0.014	2	105.3780	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.3275	0.059	2	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9400	0.705	77	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1247	0.369	19	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]HN)	108.6355	0.042	2	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0636	0.704	742	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	109.3483	0.474	12	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.0051	0.396	8	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.5290	0.000	1	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.4985	0.016	2	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	108.8383	0.353	57	109.0416	0.460	922	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0968	0.089	8	109.0999	0.018	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	109.1063	0.218	4	109.0999	0.018	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7715	0.648	6	108.7715	0.420	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9860	0.035	2	108.9860	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7790	0.007	2	108.7790	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.3501	0.194	15	108.3501	0.038	15	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	107.9630	0.069	4	109.2024	0.415	68	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2799	0.581	64	109.2024	0.415	68	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	111.7605	0.381	2	111.7605	0.145	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8195	1.520	2	109.8195	2.309	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0435	0.011	2	109.0435	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1632	0.877	44	109.1632	0.769	44	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0630	0.289	7	109.0630	0.084	7	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0340	0.212	3	109.0340	0.045	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8605	0.421	104	108.8605	0.177	104	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.4945	0.029	2	109.4945	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.7470	0.267	3	108.7470	0.071	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	107.4745	1.109	2	108.5307	0.614	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8828	0.133	6	108.5307	0.614	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HN)	109.0190	0.000	1	108.0214	0.312	5	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]HN)	107.7720	0.040	4	108.0214	0.312	5	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]HN)	108.9275	0.040	2	108.9275	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0605	0.427	4	109.0605	0.183	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|C<4>}	H(CC[6a]HN)	109.7790	1.549	8	109.7790	2.398	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4771	0.250	11	109.1052	0.259	165	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.6543	2.113	4	109.1052	0.259	165	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0633	0.413	150	109.1052	0.259	165	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8690	0.048	2	108.8690	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9025	0.005	2	108.9025	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1185	0.940	2	109.1185	0.883	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3675	0.011	2	108.3675	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8732	0.181	4	108.8732	0.033	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.9700	0.006	2	109.9700	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1900	0.345	8	109.1900	0.119	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1224	0.272	9	109.1224	0.074	9	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9048	0.014	4	108.9048	0.000	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8190	0.011	2	108.8190	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.2745	0.005	2	109.2745	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2667	0.410	3	109.0405	0.105	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.6605	0.030	2	109.0405	0.105	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0496	0.271	9	109.0405	0.105	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4115	0.016	2	108.4115	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3126	0.398	5	109.3126	0.159	5	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6230	0.065	2	108.6230	0.004	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HN)	107.9550	0.014	2	107.9550	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.7570	0.221	2	108.8640	0.389	83	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8667	0.630	81	108.8640	0.389	83	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]Cu)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]Cu)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6400	0.271	11	109.6400	0.073	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.8320	0.223	4	109.8320	0.050	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2900	0.000	1	109.2900	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0051	0.403	9	109.0051	0.162	9	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0597	0.390	32	109.0597	0.152	32	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5631	0.099	8	109.5631	0.010	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]HN)	109.3545	0.011	2	109.3545	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0568	0.329	6	109.0568	0.108	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1368	0.027	4	109.1368	0.001	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.0095	0.030	2	109.0549	0.081	35	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0577	0.293	33	109.0549	0.081	35	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1470	0.349	3	109.1470	0.122	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3920	0.016	2	108.3920	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.3708	0.050	4	108.3708	0.003	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.8663	0.068	4	108.9254	0.350	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9379	0.653	19	108.9254	0.350	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.3250	0.023	2	109.3250	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3763	0.191	12	109.3763	0.037	12	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1845	0.337	4	109.1845	0.114	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5295	0.025	2	109.5295	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8007	0.026	4	109.8007	0.001	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	109.0550	0.011	2	109.0550	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3080	0.093	4	109.3080	0.009	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8693	0.334	3	108.8693	0.112	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.0695	0.005	2	109.0695	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1345	3.429	2	109.1345	11.756	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	109.8505	0.029	2	109.8505	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8325	0.231	2	108.8325	0.053	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|C<2>}	H(CC[6a]HN)	108.8233	0.038	3	108.8233	0.001	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2440	0.147	6	109.2531	0.043	25	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1160	0.190	5	109.2531	0.043	25	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.6050	0.225	3	109.2531	0.043	25	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,2|C<3>}	H(CC[6a]HN)	109.2244	0.139	11	109.2531	0.043	25	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0668	0.393	6	109.0668	0.154	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.4270	0.348	4	108.8909	1.678	147	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1588	0.181	6	108.8909	1.678	147	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8635	1.336	137	108.8909	1.678	147	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN){3|C<3>}	H(CC[6a]HN)	110.5150	1.892	4	110.5150	3.578	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|N<3>}	H(CC[6a]HN)	109.1525	0.006	2	109.1525	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7837	0.049	4	108.7837	0.002	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1565	0.032	2	109.1565	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.4355	0.043	2	108.8983	0.217	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7640	0.420	8	108.8983	0.217	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0115	0.514	10	109.0115	0.264	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0765	0.169	4	109.0765	0.029	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0810	0.028	2	108.9835	0.324	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8996	0.144	8	108.9835	0.324	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.8096	0.392	12	108.9835	0.324	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0118	0.629	76	108.9835	0.324	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	109.1880	0.007	2	108.9835	0.324	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Mo)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Mo)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1500	0.041	2	109.1500	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4885	0.011	2	109.4885	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Ru)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Ru)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5889	0.292	8	108.5889	0.085	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9202	0.308	26	108.9202	0.095	26	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Ti<10>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.5815	0.011	2	108.4783	0.015	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Ti)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Ti<9>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.3750	0.038	2	108.4783	0.015	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6760	0.086	4	108.6760	0.007	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5320	0.027	2	108.5320	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5330	0.284	4	108.6660	0.086	37	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6821	0.294	33	108.6660	0.086	37	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.5865	0.025	2	108.5865	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3593	0.035	3	108.3593	0.001	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|Al<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.7730	0.011	2	108.7730	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.8953	0.105	4	108.8953	0.011	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.4060	0.017	2	108.7040	0.189	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5285	0.258	8	108.7040	0.189	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5930	0.000	1	108.8701	1.035	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4144	0.332	5	108.8701	1.035	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	110.1480	1.557	2	108.8701	1.035	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6905	0.033	4	108.6905	0.001	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5935	0.047	2	109.5935	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HN)	108.3697	0.022	3	108.1077	0.756	38	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	107.9449	1.172	20	108.1077	0.756	38	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.1767	0.186	9	108.1077	0.756	38	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5530	0.081	4	108.1077	0.756	38	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.1410	0.071	2	108.1077	0.756	38	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.6520	0.154	2	108.8030	0.227	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.9881	0.487	7	108.8030	0.227	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.0542	0.445	6	108.8030	0.227	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4904	0.398	8	108.8030	0.227	23	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3660	0.075	2	108.3660	0.006	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5813	0.129	6	108.7339	0.504	317	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7388	0.718	309	108.7339	0.504	317	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.4420	0.033	2	108.7339	0.504	317	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Co)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Co)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|C<4>,3|C<3>}	H(CC[6a]HN)	109.4663	0.080	3	109.4663	0.006	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Cr)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Cr)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Cr<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.5350	0.000	1	108.5350	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1495	0.272	6	109.1495	0.074	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CHHN){2|C<3>}	H(CC[6a]HN)	109.0787	0.138	3	109.0787	0.019	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6596	0.463	11	108.6596	0.215	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8695	0.019	2	108.8695	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.5233	0.398	51	109.5233	0.158	51	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6940	0.000	1	108.6940	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5290	0.014	2	108.5290	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.5968	0.167	4	108.5968	0.028	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2894	0.454	16	109.5322	2.460	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	110.0176	2.690	8	109.5322	2.460	24	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.1370	0.000	1	108.9421	0.205	55	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.9602	0.524	17	108.9421	0.205	55	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9286	0.428	37	108.9421	0.205	55	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3078	0.224	14	108.3078	0.050	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	108.6685	0.023	2	108.6685	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8984	0.416	30	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	109.8370	0.010	2	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.6332	0.226	5	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1643	0.566	7	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9569	0.607	265	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	108.7059	0.509	7	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	108.7927	0.282	8	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){3|C<3>}	H(CC[6a]HN)	108.6080	1.105	4	108.9428	0.348	328	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.6605	0.040	2	108.6605	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]H)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	H(CC[6a]HN)	109.2456	0.247	9	109.2456	0.061	9	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Mo)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Mo)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8400	0.048	2	107.8400	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3050	0.071	4	108.3457	0.007	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.4270	0.021	2	108.3457	0.007	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8635	0.009	2	108.8635	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.5420	0.006	2	108.5420	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]N)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.0630	0.000	1	108.0630	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Ni)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Ni)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6570	0.091	2	108.6570	0.008	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]P)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7290	0.010	2	108.7290	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0205	2.171	4	109.0205	4.714	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4210	0.020	4	109.4210	0.000	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1455	0.028	2	109.1455	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]S)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1712	0.243	25	109.1712	0.059	25	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Si)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5485	0.036	2	108.5485	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Sn)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Sn)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1967	0.493	4	109.1967	0.243	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]W)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]W)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4685	0.030	2	109.4685	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2482	0.311	15	109.2482	0.097	15	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Zn)(H)2	C[6a](C[6a]C[6a]Zn)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.5042	0.168	4	109.5042	0.028	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.8145	0.160	4	109.8145	0.026	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2248	0.397	8	109.2248	0.158	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6483	0.417	27	108.7478	0.158	69	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8118	0.375	42	108.7478	0.158	69	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoN)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoN)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|C<4>,3|C<3>}	H(CC[6a]HN)	108.7375	0.039	2	108.7375	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Cr<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.7295	0.009	2	108.7295	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5240	0.011	2	109.5240	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0665	0.745	4	109.0665	0.555	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.3350	0.023	2	110.3350	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.5940	0.086	3	109.5940	0.007	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3783	0.295	4	109.3783	0.087	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.7156	3.882	10	109.8535	8.446	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	108.8956	0.295	9	109.8535	8.446	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.3626	0.183	8	108.9297	0.830	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8754	0.969	86	108.9297	0.830	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	109.1303	0.154	6	108.9297	0.830	100	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7485	0.360	4	108.7485	0.129	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN){3|C<3>}	H(CC[6a]HN)	108.5805	0.086	2	108.5805	0.007	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.3920	0.167	26	109.3920	0.028	26	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	112.3792	1.471	4	112.5246	2.314	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	112.6700	1.783	4	112.5246	2.314	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.0445	0.040	2	110.0445	0.002	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7770	0.628	8	108.7770	0.394	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3475	0.006	2	108.3475	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2716	0.394	21	108.2716	0.155	21	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1670	0.585	10	109.1670	0.343	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0034	0.289	20	109.0034	0.084	20	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0435	0.394	34	109.0435	0.155	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3020	0.082	2	108.3020	0.007	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.2720	0.017	2	109.2720	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	110.2000	0.000	1	110.2000	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CHHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]HN)	109.1180	0.033	2	109.1180	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.2520	0.007	2	108.9338	0.135	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6155	0.036	2	108.9338	0.135	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4118	0.312	6	109.4118	0.098	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4782	0.089	5	109.1174	0.149	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0552	0.384	29	109.1174	0.149	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6540	0.007	4	109.6540	0.000	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1714	0.289	10	109.1714	0.084	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3336	1.000	33	108.3336	1.001	33	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	106.0269	0.586	8	106.0269	0.344	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.7095	3.415	2	107.7095	11.660	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4060	0.035	2	109.4060	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.9470	0.020	2	109.9470	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4590	0.051	6	109.6203	0.202	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	109.4860	0.202	4	109.6203	0.202	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.9965	0.752	4	109.6203	0.202	14	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4430	0.016	2	108.4430	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6300	0.095	3	109.6300	0.009	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NN[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5605	0.035	2	109.5605	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6103	0.295	6	109.6103	0.087	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	105.5360	0.008	2	105.5360	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8033	3.130	24	108.9826	2.857	83	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0556	0.370	59	108.9826	2.857	83	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7730	0.066	2	108.7730	0.004	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiP)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.2501	0.140	11	110.2501	0.020	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CHHN){2|C<3>}	H(CC[6a]HN)	109.2920	0.027	2	109.2920	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOO)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.1770	0.000	1	109.1770	0.000	1	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NOsC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOsC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7260	0.007	2	108.7260	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	107.9150	0.033	2	107.9150	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6454	0.225	15	108.6454	0.051	15	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3571	0.135	10	108.3571	0.018	10	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7825	0.015	2	108.7825	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[6]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4604	1.391	21	109.4604	1.934	21	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NP[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8770	0.907	6	107.8770	0.822	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.5493	0.392	4	109.5493	0.154	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.2730	0.030	2	109.2730	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9407	0.209	19	108.9768	0.185	70	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9903	0.489	51	108.9768	0.185	70	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0135	0.059	2	109.0135	0.003	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdP)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.1192	0.086	6	110.1192	0.007	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7770	0.055	2	108.7770	0.003	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.0780	0.448	4	109.0780	0.201	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9885	0.013	2	108.9885	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.5670	0.028	2	109.5670	0.001	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0279	0.546	41	109.0279	0.298	41	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.8372	1.206	5	110.8372	1.454	5	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1030	0.057	2	109.1030	0.003	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4693	0.049	4	109.4693	0.002	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9880	0.336	4	108.5879	0.240	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1877	0.142	4	108.5879	0.240	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.7530	0.014	2	109.7530	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7807	0.309	8	108.7807	0.096	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3927	0.410	3	108.3927	0.168	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSS)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8930	0.205	11	108.8930	0.042	11	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSb2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSb2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1667	0.174	6	108.1667	0.030	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSi[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSi[5]C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2798	0.386	4	108.2798	0.149	4	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.5018	0.212	19	109.5018	0.045	19	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7710	0.017	2	108.7710	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7365	0.347	8	108.7365	0.120	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiC)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Ti<10>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.3920	0.021	2	108.3920	0.000	2	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8579	0.172	8	108.8579	0.029	8	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.5440	0.010	2	109.2337	0.318	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5785	0.232	4	109.2337	0.318	6	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.0980	0.276	4	109.0678	0.292	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0721	0.589	28	109.0678	0.292	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9465	0.049	2	109.0678	0.292	34	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZrC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3063	0.007	3	109.3063	0.000	3	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZrP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrP)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7283	0.223	7	108.7283	0.050	7	109.0112	0.763	6830	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	H(CC[6a]HN)	108.9310	0.007	2	108.9310	0.000	2	109.3591	0.078	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HN)	109.5495	0.104	4	109.5495	0.011	4	109.3591	0.078	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NHS)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HN)	109.4065	0.018	2	109.4065	0.000	2	109.3591	0.078	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuC)(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuC)(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	112.0955	1.455	2	112.0955	2.116	2	112.0955	2.116	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	H(CC[6a]N[3]H)	110.1772	1.716	10	110.1772	2.945	10	110.1772	2.945	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[4]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[4]HH){1|C<3>,2|H<1>}	H(CC[6a]N[4]H)	109.6850	0.042	2	109.6850	0.002	2	108.9587	0.165	38	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[4]H)	109.2650	0.037	2	108.9183	0.143	36	108.9587	0.165	38	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	H(CC[6a]N[4]H)	108.8979	0.379	34	108.9183	0.143	36	108.9587	0.165	38	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH){1|C<3>,4|C<4>}	H(CC[6a]N[5]H)	109.3260	0.058	2	109.3260	0.003	2	109.3260	0.003	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN[5]HH){1|Pd<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8285	0.029	2	109.1110	0.107	4	109.1110	0.107	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CN[5]HH){1|Rh<6>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.3935	0.006	2	109.1110	0.107	4	109.1110	0.107	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5]H)	109.6976	1.044	26	109.6976	1.089	26	109.6575	1.053	28	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5]H)	109.1360	0.778	2	109.1360	0.605	2	109.6575	1.053	28	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CN[5]HH){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	108.8180	0.014	2	108.8180	0.000	2	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.0185	0.022	2	109.0185	0.000	2	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9210	0.309	8	108.9210	0.096	8	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.0804	0.225	12	109.0804	0.051	12	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9860	0.014	4	108.9860	0.000	4	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	109.1570	0.736	3	109.1497	0.125	30	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.1489	0.313	27	109.1497	0.125	30	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.1205	0.037	2	109.1205	0.001	2	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9408	0.238	25	108.9408	0.057	25	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8107	0.156	6	108.8107	0.024	6	109.0227	0.083	91	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1440	0.096	3	109.1440	0.009	3	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7716	0.345	8	108.7716	0.119	8	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.8450	0.114	4	109.0380	0.097	6	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.4240	0.027	2	109.0380	0.097	6	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9119	0.585	16	108.9119	0.342	16	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2243	0.181	6	109.2243	0.033	6	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	109.3290	0.040	2	109.0494	0.272	13	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9334	0.599	9	109.0494	0.272	13	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH){2|O<2>,3|C<3>}	H(CC[6a]N[5]H)	109.2915	0.015	2	109.0494	0.272	13	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	108.8405	0.035	2	108.8405	0.001	2	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9924	0.137	9	108.9924	0.019	9	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.5226	1.245	25	109.4447	1.548	164	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4307	1.248	139	109.4447	1.548	164	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1433	0.016	3	109.1433	0.000	3	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.2851	0.244	52	109.1349	0.133	235	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.1345	0.366	136	109.1349	0.133	235	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9700	0.402	47	109.1349	0.133	235	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2245	0.023	2	109.2245	0.001	2	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8676	0.294	7	108.8676	0.086	7	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9945	0.030	4	108.9945	0.001	4	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	109.4926	0.132	5	109.1887	0.088	25	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1128	0.278	20	109.1887	0.088	25	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	109.3574	0.822	25	109.3574	0.676	25	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9675	0.043	2	109.1638	0.100	26	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.0590	0.024	2	109.1638	0.100	26	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1911	0.337	22	109.1638	0.100	26	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.7679	0.182	15	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1916	0.515	18	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[5]H)	109.4720	0.000	1	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.1843	0.031	4	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.0859	1.100	77	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1043	0.588	37	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.3582	0.033	4	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.3183	0.222	4	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3445	0.022	2	109.0929	0.696	162	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.3093	0.590	15	109.3093	0.348	15	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0706	0.652	18	109.0706	0.425	18	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9572	0.409	39	108.9572	0.167	39	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	106.7365	1.852	2	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0793	0.944	71	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.5704	1.255	11	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2357	0.426	47	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	108.9275	0.067	2	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0356	0.714	1692	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|O<2>}	H(CC[6a]N[5]H)	109.1337	0.677	24	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9898	0.318	6	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|N<2>,2|H<1>}	H(CC[6a]N[5]H)	108.2409	2.741	7	109.0410	0.552	1862	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7222	0.444	12	108.7222	0.197	12	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Lu)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Lu)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7463	0.196	4	108.7463	0.038	4	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.0175	0.018	2	109.0175	0.000	2	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7192	0.312	6	108.7192	0.098	6	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.5343	0.244	4	109.5343	0.060	4	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH){1|C<3>}	H(CC[6a]N[5]H)	108.7676	1.825	8	108.7676	3.329	8	109.0787	0.572	2686	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH){1|N<3>,2|O<1>}	H(CC[6a]N[5]H)	109.0275	0.011	2	109.0275	0.000	2	109.0275	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[5a]H)	108.8158	0.226	6	108.8158	0.051	6	108.8158	0.051	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5a]H)	108.4845	0.005	2	108.4845	0.000	2	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.5925	0.009	2	108.5925	0.000	2	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.4866	0.928	9	109.4866	0.860	9	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.2655	0.204	2	109.2655	0.042	2	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	108.7214	0.129	10	108.7214	0.017	10	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	109.1685	0.073	2	109.1685	0.005	2	109.0228	0.424	27	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]2)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]2)2(CN[5a]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	109.1450	0.017	2	109.1450	0.000	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.1396	0.215	5	109.2945	1.318	21	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.3429	1.317	16	109.2945	1.318	21	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.5655	0.023	2	108.5655	0.001	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.3565	0.016	2	109.3565	0.000	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5a]H)	109.1713	0.139	3	109.1713	0.019	3	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8245	0.062	4	108.8245	0.004	4	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.1725	0.008	2	109.9956	1.713	26	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.8913	1.203	18	109.9956	1.713	26	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0535	0.016	2	109.9956	1.713	26	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]N[5a]H)	111.3475	1.592	4	109.9956	1.713	26	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.8857	0.327	17	108.8857	0.107	17	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	107.1475	1.539	2	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|N<2>}	H(CC[6a]N[5a]H)	109.0307	0.228	4	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.0082	0.250	5	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	110.1305	4.675	4	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.9879	0.304	17	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.1669	0.985	169	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|O<2>}	H(CC[6a]N[5a]H)	108.8255	0.018	2	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9553	0.196	7	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[5a]H)	108.8581	0.345	48	109.0833	0.991	258	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]H)	110.3145	0.224	2	110.3145	0.050	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.4055	0.022	2	109.4055	0.000	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.4645	0.011	2	109.4645	0.000	2	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.1031	0.384	18	109.1031	0.147	18	109.1610	0.988	359	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	109.0470	0.023	2	109.0470	0.001	2	109.0470	0.001	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[6]HH){2|H<1>,5|C<3>}	H(CC[6a]N[6]H)	111.0287	1.722	11	111.0287	2.965	11	111.0287	2.965	11	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.6900	0.014	2	108.6900	0.000	2	108.9004	0.050	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.5670	0.000	1	108.7604	0.018	5	108.9004	0.050	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.8088	0.093	4	108.7604	0.018	5	108.9004	0.050	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[6]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.0464	0.228	5	109.0464	0.052	5	108.9004	0.050	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CN[6]HH){1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.0960	0.011	2	109.0960	0.000	2	108.9004	0.050	14	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0903	0.211	3	109.0903	0.044	3	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9067	0.196	4	108.9067	0.038	4	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	109.2537	0.393	21	109.2537	0.155	21	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH){2|C<3>}	H(CC[6a]N[6]H)	108.8255	0.025	2	108.8255	0.001	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[6]H)	109.0680	0.000	1	108.9126	0.165	7	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.3385	0.053	2	108.9126	0.165	7	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[6]HH){1|N<2>,2|C<3>}	H(CC[6a]N[6]H)	109.1608	0.142	4	108.9126	0.165	7	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.4355	0.009	2	110.1838	3.699	17	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[6]H)	112.3515	1.673	4	110.1838	3.699	17	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.5316	1.619	11	110.1838	3.699	17	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N[6]H)	109.2740	0.006	2	109.2740	0.000	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.8079	0.198	15	108.5909	0.464	24	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.2293	1.014	9	108.5909	0.464	24	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.8659	0.087	8	108.8695	0.030	17	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8728	0.231	9	108.8695	0.030	17	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.8842	0.551	52	108.8996	0.298	54	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3000	0.020	2	108.8996	0.298	54	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6800	0.024	2	108.6800	0.001	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0956	0.793	27	109.0956	0.629	27	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2110	0.035	2	109.2110	0.001	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.5585	0.042	2	109.5585	0.002	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3608	0.384	12	109.3608	0.148	12	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[6]HH){1|C<3>,2|F<1>}	H(CC[6a]N[6]H)	109.0140	0.042	2	109.0140	0.002	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.6960	0.307	43	108.7989	0.147	53	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2410	0.380	10	108.7989	0.147	53	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<2>,1|C<3>}	H(CC[6a]N[6]H)	107.5495	2.814	2	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.4680	0.004	2	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	110.7145	1.461	4	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	109.9680	0.381	15	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.1012	0.225	24	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.1410	0.053	3	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.8629	0.383	28	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	108.6583	0.387	6	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9575	0.174	6	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){2|Cl<1>,1|C<3>}	H(CC[6a]N[6]H)	108.8115	0.351	6	109.1561	0.557	96	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.4405	0.076	2	109.4405	0.006	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|C<4>}	H(CC[6a]N[6]H)	108.9285	0.022	2	109.0320	0.048	20	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.0462	0.236	17	109.0320	0.048	20	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9980	0.000	1	109.0320	0.048	20	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	108.3865	0.059	2	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.2570	0.204	6	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.4740	0.024	2	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[6]H)	109.4875	0.157	4	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.3528	0.545	20	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|F<1>}	H(CC[6a]N[6]H)	109.2550	0.042	6	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2048	0.789	1388	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|N<3>}	H(CC[6a]N[6]H)	108.9755	0.033	2	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|O<2>}	H(CC[6a]N[6]H)	110.5488	2.153	5	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.6705	0.025	2	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.0730	0.000	1	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.0461	0.208	13	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	H(CC[6a]N[6]H)	109.0111	0.290	16	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){2|Br<1>,1|C<3>}	H(CC[6a]N[6]H)	110.0285	0.026	2	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){3|C<3>}	H(CC[6a]N[6]H)	109.5198	0.264	6	109.2096	0.613	1475	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CN[6]HH){3|C<3>}	H(CC[6a]N[6]H)	108.5695	0.040	2	108.5695	0.002	2	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.0563	0.384	16	109.0709	0.132	18	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]O)2(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.1880	0.028	2	109.0709	0.132	18	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.3478	0.305	4	109.2808	0.066	6	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.1470	0.008	2	109.2808	0.066	6	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.5050	0.457	13	109.5050	0.209	13	109.1800	0.598	1883	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	109.0121	0.133	7	109.0121	0.018	7	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	108.7262	0.495	4	108.9451	0.113	19	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[6a]H)	108.9547	0.018	6	108.9451	0.113	19	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.0360	0.359	9	108.9451	0.113	19	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6a]H)	108.8812	0.323	6	108.9057	0.077	8	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6a]H)	108.9795	0.026	2	108.9057	0.077	8	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	109.0888	0.106	4	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6a]H)	109.0615	0.415	10	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.9656	0.606	136	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6a]H)	108.7090	0.006	2	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6a]H)	110.2105	0.073	2	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[6a]H)	109.1367	0.199	6	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){3|C<3>}	H(CC[6a]N[6a]H)	108.7840	0.856	2	108.9909	0.346	162	108.9837	0.300	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(OAl2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a,6a]2)(OAl2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHO){2|H<1>,5|C<3>}	H(CC[6a]HO)	109.1990	0.067	3	109.1990	0.004	3	109.1990	0.004	3	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OAl2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OAl2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6186	1.340	17	109.6186	1.796	17	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OBiC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OBiC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.6289	0.297	12	109.6289	0.088	12	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCo2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCo2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.6190	0.053	4	108.6190	0.003	4	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.1080	0.055	2	109.1080	0.003	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCoH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCoH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8547	0.281	6	109.8547	0.079	6	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCrC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCrC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.8062	0.273	6	109.8062	0.075	6	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0570	0.277	10	109.0570	0.077	10	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCrH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCrH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.6690	0.274	3	109.6690	0.075	3	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0874	0.214	5	109.0874	0.046	5	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OFe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OFe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0685	0.022	2	109.0685	0.000	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OFe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OFe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.7410	0.000	1	108.7410	0.000	1	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OFeH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OFeH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.5980	0.061	2	109.5980	0.004	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OIrC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OIrC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.2605	0.060	2	110.2605	0.004	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OLiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OLiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.0113	0.135	3	109.0113	0.018	3	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OLiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OLiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3888	0.657	4	109.3888	0.431	4	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OLiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OLiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.7315	0.060	2	108.7315	0.004	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMg2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMg2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.7194	0.281	16	108.7194	0.079	16	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.7260	0.061	2	109.7260	0.004	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMnNi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnNi)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2690	0.010	2	109.2690	0.000	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	110.0198	0.198	6	110.0198	0.039	6	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OPdH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OPdH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	110.0810	0.065	2	110.0810	0.004	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<4>,2|C<3>}	H(CC[6a]HO)	108.7395	0.013	2	108.7395	0.000	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.3726	0.665	8	109.3726	0.442	8	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORhC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORhC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	111.3250	2.498	2	111.3250	6.238	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORu2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORu2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){2|C<4>,3|C<3>}	H(CC[6a]HO)	110.2985	0.033	2	110.2985	0.001	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ORuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ORuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.2005	0.005	2	109.2005	0.000	2	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.9506	0.095	16	109.9506	0.009	16	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSnC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OSnC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HO)	109.8646	0.134	8	109.8646	0.018	8	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OWW)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OWW)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|N<2>,2|H<1>}	H(CC[6a]HO)	108.9267	0.090	6	108.9267	0.008	6	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OZn2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZn2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	109.0700	0.074	3	109.0700	0.005	3	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OZn2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZn2)(H)2	C[6a](C[6a]C[6a]H)2(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.7148	1.540	34	108.7148	2.371	34	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHO){1|C<3>,2|C<4>}	H(CC[6a]HO)	109.4393	0.605	4	109.4393	0.367	4	109.3277	0.918	196	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(O[4]Ga[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CO[4]HH)	H(CC[6a]O[4]H)	C(C[6a]C[6a]2)(O[4]Ga[4]2)(H)2	C[6a](C[6a]C[6a]H)2(CO[4]HH){1|C<3>,2|H<1>}	H(CC[6a]O[4]H)	109.4850	0.007	2	109.4850	0.000	2	109.4850	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:O[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(O[5]B[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CO[5]HH)	H(CC[6a]O[5]H)	C(C[6a]C[6a]2)(O[5]B[5]2)(H)2	C[6a](C[6a]C[6a]H)2(CO[5]HH){1|C<3>,2|H<1>}	H(CC[6a]O[5]H)	107.8760	0.004	2	107.8760	0.000	2	107.8760	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	109.0360	0.106	2	109.0360	0.011	2	109.1187	0.049	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	109.1394	0.243	8	109.1394	0.059	8	109.1187	0.049	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.3135	0.099	4	108.3135	0.010	4	108.2951	0.005	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.2470	0.014	2	108.2470	0.000	2	108.2951	0.005	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,1|I<1>,3|C<3>}	H(CC[6a]HP)	108.3065	0.033	2	108.3065	0.001	2	108.2951	0.005	8	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	110.6430	0.000	1	110.6430	0.000	1	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.8510	0.007	2	107.8510	0.000	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0847	0.213	3	108.0847	0.045	3	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	111.9148	0.662	6	111.9148	0.438	6	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.9683	0.102	6	109.9683	0.010	6	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.9970	0.125	10	108.9970	0.016	10	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.8995	0.321	4	108.8995	0.103	4	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.6100	0.018	2	109.6100	0.000	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.5002	1.177	4	110.5002	1.386	4	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.3735	0.337	4	109.3735	0.114	4	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HP)	109.5025	0.029	2	109.5025	0.001	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HP)	109.3825	0.009	2	109.3825	0.000	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHP){1|H<1>,6|C<3>}	H(CC[6a]HP)	109.3245	0.661	4	109.3245	0.437	4	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	109.6960	0.008	2	109.6960	0.000	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4805	0.013	2	109.4805	0.000	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]Cu)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]Cu)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	111.6235	0.057	2	111.6235	0.003	2	109.6937	1.325	56	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P[4]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH)	H(CC[6a]P[4]H)	C(C[6a]C[6a]2)(P[4]C[4]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH){1|C<3>,2|H<1>}	H(CC[6a]P[4]H)	109.2188	0.443	4	109.2188	0.196	4	109.2188	0.196	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS){1|H<1>,3|C<3>}	H(CC[6a]HS)	109.3335	0.483	4	109.3335	0.233	4	109.3335	0.233	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SC[6a]Cu)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SC[6a]Cu)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS){1|Cu<4>,1|H<1>,3|C<3>}	H(CC[6a]HS)	109.0640	0.551	3	109.0640	0.303	3	109.2483	0.169	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(SRuC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6,6a]C[6a])(SRuC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHS){1|Ru<6>,1|H<1>,3|C<3>}	H(CC[6a]HS)	109.4327	0.131	3	109.4327	0.017	3	109.2483	0.169	6	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(SFe2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a,6a]2)(SFe2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHS){2|H<1>,5|C<3>}	H(CC[6a]HS)	109.6797	0.611	7	109.6797	0.373	7	109.6797	0.373	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4285	0.817	8	109.4285	0.667	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.0560	0.239	7	108.9729	0.044	12	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAgC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8566	0.078	5	108.9729	0.044	12	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAlC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAlC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8550	0.069	2	108.8550	0.005	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SAlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.3239	0.978	7	109.3239	0.956	7	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SBiC)(H)2	C[6a](C[6a]C[6a,6a]Bi)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SBiC)(H)2	C[6a](C[6a]C[6a,6a]Bi)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.1960	0.008	2	109.1960	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SBiC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SBiC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1139	0.442	46	109.1139	0.196	46	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4197	0.466	4	109.4197	0.217	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.6560	0.010	2	108.6560	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){1|H<1>,4|C<3>}	H(CC[6a]HS)	108.2970	0.215	2	108.3053	0.040	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	108.3095	0.226	4	108.3053	0.040	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5233	0.211	3	109.5233	0.045	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.0900	0.191	4	110.0900	0.037	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	111.1242	3.669	4	111.1242	13.464	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.5207	0.056	4	109.7803	1.944	55	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8006	1.447	51	109.7803	1.944	55	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	116.9965	4.024	2	116.9965	16.194	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2290	0.013	2	109.2290	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Al)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	110.4670	0.054	2	110.4670	0.003	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0888	0.411	4	109.0888	0.169	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Ir)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1100	0.028	2	109.1100	0.001	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]N)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4531	0.132	28	109.4531	0.017	28	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]F)2(CHHS){1|C<3>,2|F<1>}	H(CC[6a]HS)	109.1063	0.201	3	109.1063	0.040	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6557	0.789	16	109.6557	0.622	16	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.4340	0.104	3	108.4340	0.011	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	107.8945	0.015	2	107.8945	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HS)	109.3270	0.102	6	109.5360	0.097	10	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<4>,2|C<3>}	H(CC[6a]HS)	109.8495	0.232	4	109.5360	0.097	10	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Re)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Re)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3133	0.032	3	109.3133	0.001	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7815	0.656	4	108.7815	0.430	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){2|Br<1>,1|C<3>}	H(CC[6a]HS)	108.5413	0.076	3	108.4842	0.012	5	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){2|Cl<1>,1|C<3>}	H(CC[6a]HS)	108.3985	0.110	2	108.4842	0.012	5	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCoC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCoC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.9150	0.839	3	108.9150	0.704	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCrC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCrC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.7315	0.636	4	108.7315	0.404	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0646	0.907	11	109.0646	0.822	11	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHS){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HS)	108.8510	0.954	3	108.8510	0.909	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2927	0.912	4	109.2927	0.832	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8200	0.494	31	108.8200	0.244	31	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0871	0.334	7	109.0871	0.112	7	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SEr2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SEr2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	107.8190	0.000	1	107.8190	0.000	1	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFe2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.0521	0.358	8	109.0521	0.128	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0763	0.205	4	109.0763	0.042	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SFeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SFeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.9710	0.033	4	108.9710	0.001	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SGaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8582	0.106	4	108.8582	0.011	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SHgC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SHgC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.9229	0.360	10	108.9229	0.130	10	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SInC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SInC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0655	0.006	2	109.0655	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIn[4]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIn[4]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.5955	0.076	2	108.5955	0.006	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.7700	4.350	2	110.7700	18.924	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8780	0.409	8	109.8780	0.167	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrC)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.3282	0.643	6	108.3282	0.413	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SMn2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMn2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.8220	0.509	2	110.8220	0.259	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SMnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5295	0.019	2	109.5295	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SMnC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMnC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.6320	0.068	2	108.6320	0.005	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SMo2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SMo2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2699	0.201	16	109.2699	0.041	16	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8535	0.216	6	108.8535	0.047	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4058	0.409	5	109.4058	0.167	5	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6268	0.290	8	109.6268	0.084	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1948	0.420	6	109.1948	0.176	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.1052	0.259	4	108.1052	0.067	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0181	0.408	7	109.0181	0.167	7	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNiC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.9911	0.216	8	109.9911	0.047	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPd2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPd2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.6514	0.206	8	109.6514	0.042	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8954	0.782	12	108.8954	0.612	12	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5069	0.618	24	109.5069	0.382	24	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.8935	0.009	2	109.1719	0.192	14	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.6900	0.065	2	109.1719	0.192	14	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3240	0.426	10	109.1719	0.192	14	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.6423	0.400	11	109.7922	0.246	28	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.2017	0.492	10	109.7922	0.246	28	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPdC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<4>,2|C<3>}	H(CC[6a]HS)	109.4430	0.113	7	109.7922	0.246	28	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPt2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPt2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3835	0.263	6	109.3835	0.069	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	109.7813	0.437	3	109.2536	0.126	48	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SPtC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2185	0.326	45	109.2536	0.126	48	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRe2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.8877	0.349	4	109.8877	0.122	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRe2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2824	0.517	14	109.2824	0.267	14	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|H<1>,3|C<3>}	H(CC[6a]HS)	109.5853	0.030	4	109.5853	0.001	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0956	0.549	8	109.0956	0.302	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRhC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3820	0.027	2	109.3820	0.001	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRu2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRu2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.5116	0.279	8	109.5116	0.078	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRuC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRuC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.3440	0.167	4	108.3440	0.028	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SRuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SRuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4638	0.166	8	109.4638	0.028	8	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a,6a]Sb)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a,6a]Sb)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	110.3190	0.066	2	110.3190	0.004	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.7703	0.070	4	109.7703	0.005	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SSbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0065	0.015	2	109.0065	0.000	2	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(STaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STaC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3760	0.174	4	109.3760	0.030	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(STeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STeC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.1080	0.000	1	110.1080	0.000	1	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(STi2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STi2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.1814	0.105	5	109.1814	0.011	5	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(STiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(STiC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	108.6317	0.039	3	108.6317	0.002	3	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SWW)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SWW)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.6208	0.045	4	108.6208	0.002	4	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SYb2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SYb2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.3155	0.470	6	109.3155	0.221	6	109.3210	0.828	644	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SePdC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a,6a]C[6a])(SePdC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CSeHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]SeH)	107.5083	9.657	4	107.5083	93.256	4	107.5083	93.256	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeBiC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeBiC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.4040	0.017	2	109.4040	0.000	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeBrC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeBrC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.3515	0.011	2	109.3515	0.000	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.1442	0.842	4	109.1442	0.709	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.1875	0.795	4	109.1875	0.632	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]O)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.8700	0.024	2	109.8700	0.001	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.8704	0.175	8	108.8704	0.030	8	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CSeHH){1|Pd<4>,1|C<3>,1|C<4>}	H(CC[6a]SeH)	109.4712	0.179	4	109.4712	0.032	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.0845	0.597	4	109.0845	0.356	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeC[6a]Ru)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeC[6a]Ru)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SeH)	108.8923	1.350	4	108.8923	1.821	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeCuIn)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeCuIn)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.2130	0.030	2	109.2130	0.001	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeMnC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeMnC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	110.3490	0.011	2	110.3490	0.000	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SePdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SePdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.1637	0.286	4	109.1637	0.082	4	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SePtC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SePtC)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	111.6640	0.033	2	111.6640	0.001	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeRe2)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRe2)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.2626	0.429	16	109.2626	0.184	16	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeRhC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRhC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.1873	0.606	8	109.1873	0.367	8	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:Se-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SeRu2)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH)	H(CC[6a]SeH)	C(C[6a]C[6a]2)(SeRu2)(H)2	C[6a](C[6a]C[6a]H)2(CSeHH){1|C<3>,2|H<1>}	H(CC[6a]SeH)	109.5230	0.035	2	109.5230	0.001	2	109.3027	0.484	70	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5121	0.190	7	109.5121	0.036	7	109.5121	0.036	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH)	H(CC[6a]N[3]H)	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	H(CC[6a]N[3]H)	108.5425	0.091	2	108.5425	0.008	2	109.1441	0.188	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH)	H(CC[6a]N[3]H)	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH){1|C<3>,2|H<1>}	H(CC[6a]N[3]H)	109.5735	0.190	4	109.5735	0.036	4	109.1441	0.188	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH)	H(CC[6a]N[3]H)	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	H(CC[6a]N[3]H)	109.0155	0.122	4	109.0155	0.015	4	109.1441	0.188	10	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	H(CC[6a]N[4]H)	108.4490	0.006	2	108.4490	0.000	2	108.8095	0.555	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	H(CC[6a]N[4]H)	108.7421	0.846	8	108.7421	0.717	8	108.8095	0.555	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[4]H)	109.4395	0.037	2	109.4395	0.001	2	108.8095	0.555	12	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]H)	109.0200	2.367	2	109.0200	5.605	2	109.1043	1.878	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]H)	109.1885	0.013	2	109.1885	0.000	2	109.1043	1.878	4	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH){1|C<3>,2|H<1>}	H(CN[5,6]C[6a]H)	109.3600	0.038	5	109.3600	0.001	5	109.0854	0.106	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH){1|C<3>,2|H<1>}	H(CN[5,6]C[6a]H)	108.7176	0.157	10	108.7176	0.025	10	109.0854	0.106	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,6]HH){1|C<3>,2|H<1>}	H(CN[5,6]C[6a]H)	109.3158	0.074	10	109.3158	0.005	10	109.0854	0.106	25	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5]H)	108.9430	0.031	2	108.9430	0.001	2	108.9430	0.001	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3340	0.007	2	108.3340	0.000	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4193	0.231	7	108.4193	0.053	7	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3340	0.430	2	108.3340	0.185	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1047	0.154	3	109.1047	0.024	3	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1060	0.027	2	109.1060	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8736	0.762	8	108.8736	0.581	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2293	0.678	9	109.2293	0.460	9	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.5380	0.000	1	108.5380	0.000	1	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CN[5]HH){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]N[5]H)	108.8835	0.179	8	108.8835	0.032	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6464	0.153	8	108.6464	0.023	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	110.2686	2.619	8	110.2686	6.860	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8353	0.272	14	108.8094	0.103	50	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N[5]H)	108.7245	0.039	2	108.8094	0.103	50	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	108.9984	0.253	5	108.8094	0.103	50	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.2970	0.194	6	108.8094	0.103	50	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6327	0.244	23	108.8094	0.103	50	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.5810	0.020	2	108.5810	0.000	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5]H)	109.3143	0.247	4	108.9786	0.232	10	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.7548	0.480	6	108.9786	0.232	10	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	108.8923	0.252	6	108.7157	0.069	32	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.6750	0.253	26	108.7157	0.069	32	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6226	0.219	22	108.6231	0.049	33	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7527	0.015	3	108.6231	0.049	33	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5]H)	108.7255	0.021	4	108.6231	0.049	33	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.4262	0.325	4	108.6231	0.049	33	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6805	0.303	4	108.6805	0.092	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2146	0.763	81	109.2146	0.582	81	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8444	0.587	8	108.8444	0.345	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.3197	0.130	4	109.3197	0.017	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	111.5775	5.540	2	111.5775	30.694	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8660	0.027	2	108.8660	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.4760	0.000	1	109.4760	0.000	1	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.4760	0.008	2	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3334	0.151	5	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[5]H)	109.4700	0.006	3	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N[5]H)	109.5045	0.033	4	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.4797	0.021	3	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4735	0.006	2	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.4670	0.011	7	109.4501	0.007	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1368	0.487	17	109.1368	0.237	17	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0120	0.645	119	109.0120	0.415	119	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8268	0.300	4	108.8268	0.090	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1132	0.317	8	109.1132	0.100	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7469	0.405	8	108.7469	0.164	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6166	0.375	37	108.6166	0.141	37	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.4930	0.021	2	109.1782	0.868	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.8635	0.852	2	109.1782	0.868	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6704	0.419	26	108.6704	0.176	26	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1785	0.008	2	109.1785	0.000	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]HH){2|C<3>}	H(CC[6a]N[5]H)	108.9890	0.038	2	108.9890	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6735	0.395	4	108.6735	0.156	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1347	0.156	7	109.2033	0.738	45	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2159	0.934	38	109.2033	0.738	45	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1806	0.239	18	108.7904	1.051	149	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.8067	1.189	102	108.7904	1.051	149	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4828	0.515	25	108.7904	1.051	149	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	108.5418	0.107	4	108.7904	1.051	149	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9192	0.199	5	108.9192	0.039	5	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	108.7045	0.222	11	108.7045	0.049	11	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.0798	0.405	4	109.1530	0.195	22	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8270	0.232	10	109.1530	0.195	22	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	109.5973	0.256	8	109.1530	0.195	22	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8038	0.097	4	108.8038	0.009	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.2765	0.028	2	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1298	0.284	31	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[5]H)	108.6555	0.032	2	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.1183	0.157	25	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9376	0.585	1121	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|O<2>}	H(CC[6a]N[5]H)	109.1795	0.201	4	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6675	0.209	2	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3225	0.016	2	108.9475	0.327	1189	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.7357	0.091	4	109.7357	0.008	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3520	0.167	4	108.3520	0.028	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9795	0.025	2	108.9795	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1805	0.028	4	109.1805	0.001	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3160	0.167	4	108.3160	0.028	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4578	0.168	5	109.4578	0.028	5	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0992	0.462	4	109.0992	0.214	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9090	0.034	2	108.9090	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1150	0.355	4	108.8101	0.065	22	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7423	0.177	18	108.8101	0.065	22	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9624	0.430	8	108.9624	0.185	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1560	0.084	4	109.1560	0.007	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5]H)	109.2820	0.006	2	109.1077	0.091	3	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7590	0.000	1	109.1077	0.091	3	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.7165	0.026	2	109.7165	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3006	0.257	8	109.2121	0.191	442	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5]H)	108.8235	0.025	2	109.2121	0.191	442	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.1963	1.035	3	109.2121	0.191	442	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2214	0.436	415	109.2121	0.191	442	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9450	0.309	14	109.2121	0.191	442	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2345	0.063	4	109.2345	0.004	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.2060	0.173	9	109.2060	0.030	9	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2560	0.027	2	109.2560	0.001	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4920	0.045	2	109.4920	0.002	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2377	2.614	48	109.2377	6.835	48	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4768	0.184	6	108.4768	0.034	6	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4843	0.289	7	108.4843	0.083	7	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6190	0.452	4	108.6190	0.204	4	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1262	0.829	28	109.1262	0.687	28	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6560	0.014	2	108.6560	0.000	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.4587	0.126	8	109.4587	0.016	8	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9953	0.029	3	108.9953	0.001	3	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9107	0.367	7	108.9107	0.135	7	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0270	0.212	15	109.0270	0.045	15	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9040	0.013	2	108.9040	0.000	2	109.0005	0.511	2626	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5a]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5a]H)	109.1464	0.409	7	109.1464	0.167	7	109.1464	0.167	7	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0602	0.455	8	109.0602	0.207	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8478	0.354	6	108.8478	0.125	6	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.5840	0.000	1	109.5840	0.000	1	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9807	0.434	24	108.9807	0.188	24	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9450	0.217	8	108.9450	0.047	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9889	0.346	9	108.9889	0.120	9	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CN[5a]HH){2|O<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.4305	0.032	2	108.4305	0.001	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.8044	0.245	5	108.8044	0.060	5	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.5530	0.059	2	108.5530	0.004	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]H)	108.8755	0.019	2	108.8755	0.000	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.1077	0.131	4	109.1077	0.017	4	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.8720	0.525	4	108.8642	0.229	74	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5a]H)	108.7417	0.080	4	108.8642	0.229	74	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.3833	0.020	4	108.8642	0.229	74	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8963	0.499	60	108.8642	0.229	74	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[5a]H)	109.0925	0.013	2	108.8642	0.229	74	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0531	0.282	8	109.0531	0.079	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.1680	0.520	4	108.9063	0.349	29	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0244	0.518	25	108.9063	0.349	29	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	108.7395	0.030	2	108.7395	0.001	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.2248	0.297	6	109.2248	0.088	6	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9210	0.008	2	108.9210	0.000	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.4142	0.408	12	108.4142	0.167	12	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.8049	0.727	28	108.8178	0.494	30	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9995	0.056	2	108.8178	0.494	30	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9465	0.021	2	108.9465	0.000	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5a]H)	109.0000	0.024	4	108.9830	0.051	18	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]H)	108.9275	0.178	4	108.9830	0.051	18	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9917	0.336	6	108.9830	0.051	18	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.7935	0.033	2	108.9830	0.051	18	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.2235	0.009	2	108.9830	0.051	18	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9225	0.210	13	108.9225	0.044	13	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	108.9655	0.084	2	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	108.8018	0.294	6	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[5a]H)	109.0590	0.000	1	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]H)	108.8195	0.260	6	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.3333	0.102	3	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9014	0.535	417	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.1805	0.006	2	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9897	0.366	11	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[5a]H)	108.7566	0.248	11	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){3|C<3>}	H(CC[6a]N[5a]H)	108.7275	0.113	4	108.9008	0.267	463	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.7780	0.169	5	108.7780	0.029	5	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0568	0.172	28	109.0568	0.030	28	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8312	0.027	4	108.8312	0.001	4	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.0420	0.087	4	108.8812	0.088	47	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5a]H)	108.7520	0.055	4	108.8812	0.088	47	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.8780	0.318	39	108.8812	0.088	47	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[4,6a]C)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	109.1908	0.163	5	109.1908	0.027	5	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[5a]H)	109.3745	0.043	2	109.2198	0.033	4	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.0650	0.021	2	109.2198	0.033	4	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.1195	0.437	4	109.1195	0.191	4	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	109.0705	0.015	2	109.0705	0.000	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[5a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5a]H)	108.2350	0.006	2	108.2350	0.000	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N[5a]H)	109.3312	0.264	10	109.3312	0.070	10	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	110.3205	7.082	4	109.6895	21.948	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.0585	0.041	4	109.6895	21.948	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	108.9939	0.303	19	108.9939	0.092	19	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.7853	1.292	23	109.7853	1.669	23	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.5420	0.000	1	109.5420	0.000	1	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|F<1>}	H(CC[6a]N[5a]H)	109.2860	0.208	8	109.2493	0.027	16	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.2126	0.110	8	109.2493	0.027	16	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.2130	0.025	2	109.2130	0.001	2	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	108.9698	0.350	4	109.3420	1.299	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.6210	0.008	2	109.3420	1.299	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5a]H)	109.8075	2.754	2	109.3420	1.299	8	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.2472	0.246	14	109.2472	0.061	14	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.1045	0.028	2	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]H)	109.0840	0.057	2	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]H)	109.1780	0.366	11	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5a]H)	109.2180	0.038	2	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5a]H)	108.7290	0.021	2	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5a]H)	109.0923	0.163	9	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]H)	109.1640	0.527	490	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5a]H)	108.9236	0.082	8	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|C<2>}	H(CC[6a]N[5a]H)	108.9465	0.058	4	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH)	H(CC[6a]N[5a]H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[5a]H)	109.3360	0.283	4	109.1572	0.260	534	109.0285	0.392	1466	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.9368	0.144	12	108.9368	0.021	12	108.9804	0.294	31	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.8367	0.070	4	108.8367	0.005	4	108.9804	0.294	31	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.5495	0.008	2	108.5495	0.000	2	108.9804	0.294	31	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	109.1310	0.807	13	109.1310	0.651	13	108.9804	0.294	31	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.2650	2.809	11	108.2650	7.891	11	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.8175	0.226	2	109.8175	0.051	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4700	0.011	2	108.4700	0.000	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6912	0.287	4	108.6912	0.082	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6620	0.023	2	108.6620	0.001	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3540	0.000	1	108.3540	0.000	1	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	107.8498	0.176	4	107.8498	0.031	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8098	0.275	4	108.8098	0.075	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0700	0.011	2	109.0700	0.000	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.7377	0.116	7	108.7377	0.013	7	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.1503	0.779	61	109.1503	0.607	61	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8152	0.168	4	108.8152	0.028	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	109.0600	0.008	2	109.0600	0.000	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	109.2233	0.091	4	109.2233	0.008	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8971	0.298	19	108.8983	0.084	20	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|O<2>}	H(CC[6a]N[6]H)	108.9200	0.000	1	108.8983	0.084	20	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.7855	0.051	4	108.7855	0.003	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0614	0.304	59	109.0614	0.092	59	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3458	0.169	6	109.3458	0.028	6	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6049	1.033	8	108.6049	1.067	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3473	0.058	4	108.3473	0.003	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3360	0.018	2	108.3360	0.000	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6335	0.173	8	108.6335	0.030	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4111	0.273	7	108.4111	0.075	7	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3620	0.035	2	109.3620	0.001	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.6190	1.379	12	109.6190	1.901	12	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4415	0.036	2	108.4415	0.001	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0860	0.075	4	109.0860	0.006	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.7710	0.028	2	108.8001	0.349	147	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[6]H)	108.7090	0.014	2	108.8001	0.349	147	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.0842	0.132	5	108.8001	0.349	147	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.7867	0.610	136	108.8001	0.349	147	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.1275	0.015	2	108.8001	0.349	147	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8605	0.025	2	108.8605	0.001	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8895	0.179	10	108.8895	0.032	10	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2173	0.450	15	109.2173	0.203	15	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9592	0.379	4	108.9592	0.143	4	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.4202	1.291	8	109.4202	1.667	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	108.7880	0.028	2	108.7880	0.001	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[6]H)	109.4130	0.507	13	109.4130	0.257	13	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	108.7993	0.139	4	109.1335	0.172	20	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2171	0.420	16	109.1335	0.172	20	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3420	1.144	2	109.3420	1.309	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2648	1.093	8	109.2648	1.195	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.2450	0.030	2	109.2840	0.035	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2970	0.218	6	109.2840	0.035	8	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4847	0.039	3	108.4847	0.002	3	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4535	0.022	2	108.4535	0.000	2	108.9473	0.566	492	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.7135	0.118	2	108.7135	0.014	2	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6a]H)	108.2660	0.006	2	108.2660	0.000	2	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.1175	1.422	6	109.1175	2.022	6	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.9605	0.025	2	108.9605	0.001	2	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.1034	0.205	14	109.1034	0.042	14	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.5339	0.189	8	108.5339	0.036	8	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.4822	0.882	6	108.4822	0.778	6	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.0145	0.487	2	109.0145	0.237	2	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.9310	0.583	55	108.9310	0.340	55	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.3755	0.729	19	109.3755	0.531	19	108.9704	0.440	116	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	S-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(SB[3x3,3x5,12x6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4145	0.008	2	109.4145	0.000	2	109.4145	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:1:1:	3:3:4:	4:	Se[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSe[3]HH)	H(CC[6a]Se[3]H)	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSe[3]HH){1|C<3>,2|H<1>}	H(CC[6a]Se[3]H)	110.2535	0.016	2	110.2535	0.000	2	110.2535	0.000	2	109.0087	0.690	27685	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	109.4100	0.000	1	109.4100	0.000	1	108.8915	0.538	2	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	108.3730	0.000	1	108.3730	0.000	1	108.8915	0.538	2	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1220	0.304	2	109.1220	0.092	2	109.0800	0.052	3	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9960	0.000	1	108.9960	0.000	1	109.0800	0.052	3	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C-3:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCO)(OC)(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	H(CC[6a]CO)	108.8628	0.176	4	108.8628	0.031	4	108.8628	0.031	4	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(COO)(SC)(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]O[6a])(COO)(SC)(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHS){1|O<1>,2|C<3>}	H(CC[6a]CS)	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(CC[6a]2O)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[6a]HO){1|H<1>,4|C<3>}	H(CC[6a]2O)	108.2975	0.261	2	108.2975	0.068	2	108.2975	0.068	2	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6737	0.769	7	108.6737	0.591	7	108.6737	0.591	7	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]2O)	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	108.7478	0.255	23	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.4260	0.000	1	109.4260	0.000	1	108.5307	1.326	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.1460	0.000	1	106.1460	0.000	1	108.5307	1.326	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]N[5,5]N[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.9907	0.244	3	108.9907	0.060	3	108.5307	1.326	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.5855	0.841	2	108.5855	0.707	2	108.5307	1.326	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH){2|Cl<1>,1|C<3>}	H(CC[5a]C[6a]C)	105.9440	0.000	1	105.9440	0.000	1	106.4868	0.248	4	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.7600	0.000	1	106.7600	0.000	1	106.4868	0.248	4	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.6215	0.581	2	106.6215	0.337	2	106.4868	0.248	4	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	107.5770	0.000	1	107.5770	0.000	1	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	108.2883	0.864	3	108.2883	0.747	3	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]O)	109.7390	0.000	1	109.6505	0.016	2	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	109.5620	0.000	1	109.6505	0.016	2	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	106.8475	1.521	4	106.8475	2.313	4	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]HO){1|H<1>,2|C<3>}	H(CC[5a]C[6a]O)	107.5310	0.205	2	107.5310	0.042	2	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HO){1|C<3>,2|H<1>}	H(CC[5a]C[6a]O)	108.0940	0.000	1	108.0940	0.000	1	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO)	H(CC[5a]C[6a]O)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[5a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(CC[5a]C[6a]O)	107.8320	0.000	1	107.8320	0.000	1	107.8658	1.531	14	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	106.8850	0.000	1	106.8850	0.000	1	107.6933	0.505	3	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[3x6])(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	108.2190	0.000	1	108.2190	0.000	1	107.6933	0.505	3	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	107.9760	0.000	1	107.9760	0.000	1	107.6933	0.505	3	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	110.2400	0.000	1	110.2400	0.000	1	109.1990	2.167	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.1580	0.000	1	108.1580	0.000	1	109.1990	2.167	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:B[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HO)	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HO){1|C<3>,2|H<1>}	H(CC[6a]B[5]O)	107.4040	0.000	1	107.4040	0.000	1	107.7010	0.176	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:B[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	C[6a](C[6a]C[6a]C)2(CB[5]HO)	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	C[6a](C[6a]C[6a]C)2(CB[5]HO){1|C<3>,2|H<1>}	H(CC[6a]B[5]O)	107.9980	0.000	1	107.9980	0.000	1	107.7010	0.176	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	108.2380	0.000	1	108.2380	0.000	1	107.6270	0.747	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]CC)	107.0160	0.000	1	107.0160	0.000	1	107.6270	0.747	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.9750	0.000	1	108.9750	0.000	1	106.3895	13.370	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHH)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHH)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	103.8040	0.000	1	103.8040	0.000	1	106.3895	13.370	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.0600	0.000	1	105.0600	0.000	1	108.0493	1.347	27	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3910	0.000	1	109.3910	0.000	1	108.0493	1.347	27	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0830	0.000	1	106.0830	0.000	1	108.0493	1.347	27	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5390	0.000	1	107.5390	0.000	1	108.0493	1.347	27	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2286	0.939	23	108.2286	0.882	23	108.0493	1.347	27	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1350	0.000	1	108.1350	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CO)	109.4150	0.000	2	109.5267	0.037	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	109.7500	0.000	1	109.5267	0.037	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	101.4702	10.203	2	101.4702	104.108	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	H(CC[6a]CO)	109.0395	0.487	2	109.0395	0.237	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1280	0.000	1	109.1280	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2540	0.098	3	108.2540	0.010	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>}	H(CC[6a]CO)	107.8883	1.288	3	108.5876	1.778	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CCHO){2|C<3>}	H(CC[6a]CO)	109.6365	0.353	2	108.5876	1.778	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	109.7000	0.000	1	109.7000	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2960	0.000	1	109.2960	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0990	0.000	1	109.0990	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,4|C<3>}	H(CC[6a]CO)	109.9970	0.000	1	109.9970	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.4340	0.000	1	109.4340	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0158	1.159	6	108.9660	1.136	7	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	108.6670	0.000	1	108.9660	1.136	7	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4647	0.339	4	108.4647	0.115	4	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0760	0.000	1	109.0760	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2140	0.000	1	108.2140	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0650	0.000	1	108.0650	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	109.4030	0.000	1	109.4030	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]O)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OC)(H)	C[6a](C[6a]C[6a]O)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8190	0.000	1	107.8190	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	105.7130	0.000	1	105.7130	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9720	0.000	1	108.9720	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.4625	0.332	2	107.4625	0.110	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	106.0190	0.000	1	106.0190	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.9490	0.000	1	110.9490	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	H(CC[6a]CO)	108.8730	0.000	1	108.8730	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]O)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	107.3250	0.000	1	107.3250	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2270	0.000	1	108.2270	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CO)	107.4940	0.000	1	107.4940	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9135	0.117	2	107.9135	0.014	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2050	0.369	2	108.2050	0.136	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.9005	0.098	2	108.6913	0.136	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2730	0.000	1	108.6913	0.136	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1330	0.174	4	108.1330	0.030	4	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3250	0.000	1	109.3250	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.9920	0.000	1	109.9920	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CO)	110.9805	0.243	2	109.7645	2.346	6	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|H<1>,4|C<3>}	H(CC[6a]CO)	109.1565	1.553	4	109.7645	2.346	6	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1960	0.000	1	108.1960	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(CCHO){2|C<3>}	H(CC[6a]CO)	108.6850	0.000	1	108.6850	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	112.3460	0.252	2	109.2923	2.859	17	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7487	1.373	13	109.2923	2.859	17	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Br<1>,1|C<3>}	H(CC[6a]CO)	109.7720	0.315	2	109.2923	2.859	17	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5834	0.713	5	108.5834	0.508	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.8490	0.000	1	109.8490	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0403	2.292	3	108.0403	5.254	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3240	0.000	1	108.3240	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.6660	0.000	1	109.6660	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2147	0.798	24	109.2147	0.637	24	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3965	0.081	2	109.3965	0.007	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8342	0.840	5	108.8342	0.706	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8417	1.097	3	107.8417	1.203	3	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	105.5180	0.000	1	105.5180	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	108.6523	0.340	7	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	108.4998	0.423	6	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CO)	106.7615	0.128	2	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]CO)	108.7893	0.523	3	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.3890	0.000	1	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5447	0.865	118	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	108.9661	0.507	10	108.5564	0.688	147	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OPt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OPt)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.3680	0.000	1	107.3680	0.000	1	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(OS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COO)(OS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.7710	0.157	2	107.7710	0.025	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COS)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(COS)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2300	0.512	2	109.2300	0.262	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.4608	0.230	4	107.7400	0.430	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSiC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	108.8570	0.000	1	107.7400	0.430	5	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(OZr)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSiC)(OZr)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2705	0.275	2	108.2705	0.076	2	108.6110	1.743	291	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.4990	0.175	2	108.4990	0.031	2	108.6023	0.605	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CS)	108.1230	0.000	1	108.1230	0.000	1	108.6023	0.605	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHS){2|C<3>}	H(CC[6a]CS)	106.8260	0.000	1	106.8260	0.000	1	108.6023	0.605	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]O)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	109.2310	0.109	4	109.2310	0.012	4	108.6023	0.605	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(COO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.5760	0.621	2	108.5760	0.385	2	108.6023	0.605	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5]O)	110.0160	0.000	1	110.0160	0.000	1	108.3642	0.881	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.0120	0.858	6	108.0120	0.737	6	108.3642	0.881	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>}	H(CC[6a]C[5]O)	109.2020	0.000	1	109.2020	0.000	1	108.3642	0.881	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.1760	0.034	2	108.1760	0.001	2	108.3642	0.881	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[5]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS)	H(CC[6a]C[5]S)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS){1|C<3>,2|H<1>}	H(CC[6a]C[5]S)	106.7775	1.199	2	106.7775	1.437	2	106.7775	1.437	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.5060	0.000	1	108.5060	0.000	1	107.8228	1.216	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.7469	1.141	9	107.7469	1.303	9	107.8228	1.216	10	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	108.9380	0.000	1	108.9380	0.000	1	106.5378	5.084	13	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.8432	2.509	5	105.8432	6.293	5	106.5378	5.084	13	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	104.1765	2.948	2	104.1765	8.690	2	106.5378	5.084	13	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.5468	0.466	4	107.5468	0.217	4	106.5378	5.084	13	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	108.2970	0.000	1	108.2970	0.000	1	106.5378	5.084	13	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(HMo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]2H)	C(C[6a]C[6a]2)2(HMo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]2H)	107.6515	2.286	2	107.6515	5.226	2	107.6515	5.226	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.6170	0.000	1	108.6170	0.000	1	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	108.1980	0.000	1	108.1980	0.000	1	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0067	0.482	4	108.0067	0.232	4	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.1012	0.799	29	108.1012	0.638	29	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	109.3690	0.000	1	109.3690	0.000	1	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NS[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0873	1.638	3	108.0873	2.684	3	108.1387	0.679	39	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2O)	106.5160	1.891	2	106.5160	3.575	2	108.0510	2.207	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	H(CC[6a]2O)	108.8367	0.440	3	108.8367	0.194	3	108.0510	2.207	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]2O)	108.7640	0.000	1	108.7640	0.000	1	108.0510	2.207	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	H(CC[6a]2O)	108.2570	0.000	1	108.2570	0.000	1	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HO){2|H<1>,3|C<3>}	H(CC[6a]2O)	108.6010	0.000	1	108.6010	0.000	1	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HO){1|H<1>,4|C<3>}	H(CC[6a]2O)	109.8820	0.000	1	109.8820	0.000	1	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	H(CC[6a]2O)	108.7574	0.419	11	108.7574	0.176	11	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	H(CC[6a]2O)	108.4180	0.000	1	108.4180	0.000	1	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HO){2|H<1>,3|C<3>}	H(CC[6a]2O)	108.4320	0.020	2	108.4320	0.000	2	108.7266	0.225	17	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.8250	0.000	1	107.8250	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.9320	1.865	4	107.9320	3.478	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2O)	108.7690	0.000	1	108.7690	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6600	0.000	1	108.6600	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.4700	0.321	2	108.4700	0.103	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	109.9280	0.000	1	109.9280	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.3915	0.244	2	108.3915	0.060	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]HO){1|C<3>,2|F<1>}	H(CC[6a]2O)	107.9695	0.698	10	107.9695	0.487	10	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OAl)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.5370	0.265	4	108.5370	0.070	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.8803	0.414	4	108.8803	0.172	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.0545	0.006	2	108.0545	0.000	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	108.2190	0.000	1	108.2190	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]2O)	109.2520	0.000	1	109.2520	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]2O)	108.7020	0.000	1	108.7020	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	108.1720	0.000	1	108.7455	0.271	12	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2O)	109.1672	0.575	5	108.7455	0.271	12	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.4897	0.102	6	108.7455	0.271	12	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2O)	108.2200	0.320	2	108.2200	0.102	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	109.2990	0.000	1	109.3655	0.009	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2O)	109.4320	0.000	1	109.3655	0.009	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2O)	108.9255	0.278	2	108.9353	0.172	7	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|C<4>}	H(CC[6a]2O)	109.1345	0.251	4	108.9353	0.172	7	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.1580	0.000	1	108.9353	0.172	7	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	H(CC[6a]2O)	109.9490	0.000	1	109.9490	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2O)	109.1910	0.000	1	108.6582	0.245	96	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2O)	108.9470	0.000	1	108.6582	0.245	96	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|F<1>}	H(CC[6a]2O)	108.1375	0.185	2	108.6582	0.245	96	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6690	0.496	89	108.6582	0.245	96	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2O)	108.4107	0.461	3	108.6582	0.245	96	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5,5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.4400	0.206	2	108.4400	0.043	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.8152	0.523	5	107.8152	0.274	5	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.7827	1.783	13	107.7827	3.179	13	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6490	0.711	12	108.6490	0.506	12	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6755	1.322	6	108.6755	1.747	6	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OFe)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OFe)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.7500	0.016	2	107.7500	0.000	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,2|C<3>}	H(CC[6a]2O)	108.5570	0.000	1	108.5570	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	H(CC[6a]2O)	108.5815	0.608	4	108.5815	0.369	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	H(CC[6a]2O)	108.9380	0.000	1	108.9380	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]2O)	108.5750	0.000	1	108.5750	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2O)	107.9360	0.000	1	108.5970	1.273	3	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.9275	1.375	2	108.5970	1.273	3	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	108.9045	0.514	2	108.9045	0.264	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.3570	0.368	2	108.3570	0.135	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	108.6010	0.262	2	108.9543	0.464	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	109.3075	0.909	2	108.9543	0.464	4	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.0490	0.000	1	108.0490	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.0065	0.180	2	107.0065	0.033	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]HO){1|C<3>,1|H<1>}	H(CC[6a]2O)	108.5980	0.000	1	108.5980	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.7253	1.040	18	107.7373	1.024	19	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|O<2>}	H(CC[6a]2O)	107.9530	0.000	1	107.7373	1.024	19	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]2O)	107.2190	0.000	1	107.2190	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OIr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OIr)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	105.8935	0.757	2	105.8935	0.574	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OMg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OMg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.3485	0.039	2	107.3485	0.002	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OMo)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OMo)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.6660	0.042	2	108.6660	0.002	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.7965	0.681	6	107.7965	0.464	6	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OSn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OSn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.4150	0.018	2	108.4150	0.000	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OZn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OZn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.3465	0.005	2	108.3465	0.000	2	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2O)	106.9420	0.000	1	106.9420	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.9820	0.000	1	108.9820	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.8833	0.229	6	108.8833	0.053	6	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	109.0300	0.000	1	109.0300	0.000	1	108.4288	0.734	262	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]2O)	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	107.0236	0.320	7	107.0236	0.102	7	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2S)	107.0070	0.000	1	106.9987	0.006	3	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	106.9945	0.111	2	106.9987	0.006	3	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	107.3960	0.000	1	107.3960	0.000	1	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS){1|C<2>,1|C<3>}	H(CC[6a]2S)	106.8130	0.255	4	106.8130	0.065	4	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	106.9398	0.285	8	106.9398	0.081	8	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	106.7100	0.052	2	106.7100	0.003	2	106.9499	0.076	25	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.4563	0.128	3	107.4563	0.016	3	107.4563	0.016	3	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6510	0.000	1	106.6510	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	H(CC[6a]CN)	106.8020	0.000	1	106.8020	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9085	0.302	2	106.9085	0.091	2	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN){2|C<3>}	H(CC[6a]CN)	109.1063	2.133	4	109.1063	4.552	4	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	111.6110	0.000	1	111.6110	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2958	0.913	5	108.2958	0.834	5	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	103.2870	0.000	1	103.2870	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7500	0.000	1	107.7500	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0100	0.290	3	107.0100	0.084	3	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5600	0.621	2	107.5600	0.385	2	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.5160	0.000	1	107.5160	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	H(CC[6a]CN)	108.6653	1.841	9	108.6653	3.388	9	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7030	0.000	1	107.7030	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0400	0.000	1	108.0400	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5738	1.289	4	107.5738	1.662	4	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.9280	0.000	1	109.9280	0.000	1	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.6540	0.477	3	105.6540	0.227	3	107.8635	3.107	41	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a,6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHNO){2|H<1>,5|C<3>}	H(CC[6a]NO)	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCC)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	H(CC[6a]NO)	107.9210	0.000	1	107.9210	0.000	1	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCC)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNO){2|H<1>,3|C<3>}	H(CC[6a]NO)	108.7333	0.568	3	108.7333	0.323	3	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	H(CC[6a]NO)	108.7600	0.059	2	108.7600	0.004	2	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|N<2>,2|H<1>}	H(CC[6a]NO)	108.4110	0.000	1	108.4110	0.000	1	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	H(CC[6a]NO)	109.0000	0.000	1	109.0000	0.000	1	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NC[6a]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	H(CC[6a]NO)	108.4650	0.000	1	108.4650	0.000	1	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO){1|C<3>,2|H<1>}	H(CC[6a]NO)	112.0590	1.154	2	112.0590	1.332	2	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]NO)	109.5030	0.782	3	109.0097	1.381	4	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO)	H(CC[6a]NO)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHNO){1|C<3>,2|H<1>}	H(CC[6a]NO)	107.5300	0.000	1	109.0097	1.381	4	109.1783	1.892	15	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCC)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(NCC)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS){2|H<1>,3|C<3>}	H(CC[6a]NS)	106.7740	0.000	1	106.7740	0.000	1	106.0227	3.660	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCH)(SC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(NCH)(SC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHNS){1|C<3>,2|H<1>}	H(CC[6a]NS)	108.7960	0.000	1	108.7960	0.000	1	106.0227	3.660	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCS)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(NCS)(SC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHNS){2|H<1>,3|C<3>}	H(CC[6a]NS)	105.9370	0.000	1	105.9370	0.000	1	106.0227	3.660	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(NC[6a]C)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHNS){1|C<3>,2|H<1>}	H(CC[6a]NS)	104.8763	1.746	3	104.8763	3.047	3	106.0227	3.660	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	107.0780	0.000	1	107.0780	0.000	1	106.8540	0.100	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH){2|C<3>}	H(CC[6a]N[5]C)	106.6300	0.000	1	106.6300	0.000	1	106.8540	0.100	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.6265	0.194	2	107.6265	0.038	2	107.6265	0.038	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO)	H(CC[6a]N[5a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]HO){2|H<1>,3|C<3>}	H(CC[6a]N[5a]O)	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	109.5680	2.362	2	109.5680	5.578	2	109.5680	5.578	2	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:O-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OZn2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OZn2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:O-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OPdC)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHOO)	H(CC[6a]OO)	C(C[6a]C[6a]2)(OPdC)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHOO){1|C<3>,2|H<1>}	H(CC[6a]OO)	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.4630	0.000	1	107.4630	0.063	4	107.3875	0.100	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.4630	0.306	3	107.4630	0.063	4	107.3875	0.100	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	107.5850	0.000	1	107.5850	0.000	1	107.3875	0.100	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.8880	0.000	1	106.8880	0.000	1	107.3875	0.100	6	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CN[5]HO)	H(CC[6a]N[5]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CN[5]HO){1|C<3>,2|H<1>}	H(CC[6a]N[5]O)	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	H(CC[6a]N[5a]O)	108.7755	0.105	2	108.7755	0.011	2	108.9429	0.045	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]HO){1|C<3>,2|H<1>}	H(CC[6a]N[5a]O)	109.2070	0.000	1	109.2070	0.000	1	108.9429	0.045	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|C<3>,2|H<1>}	H(CC[6a]N[5a]O)	108.9575	0.004	2	108.9605	0.044	4	108.9429	0.045	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO)	H(CC[6a]N[5a]O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]O)	108.9635	0.363	2	108.9605	0.044	4	108.9429	0.045	7	108.3256	1.654	844	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])3(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]3)	106.4240	0.532	2	106.4240	0.283	2	106.4240	0.283	2	106.4152	0.094	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	H(CC[6a]3)	106.4800	0.255	2	106.4800	0.065	2	106.4800	0.065	2	106.4152	0.094	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H){1|O<1>,2|C<3>}	H(CC[6a]3)	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	106.4152	0.094	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.3129	0.687	7	106.3129	0.472	7	106.3129	0.472	7	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	H(CC[5a]C[6a]N)	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]2H){1|H<1>,3|C<3>}	H(CC[6a]3)	107.3150	0.000	1	107.3150	0.000	1	107.3150	0.000	1	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]2H){1|H<1>,4|C<3>}	H(CC[6a]3)	106.7490	0.000	1	106.7490	0.000	1	106.3787	0.308	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.7830	0.494	2	105.7830	0.244	2	106.3787	0.308	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	107.0370	0.000	1	106.5430	0.232	5	106.3787	0.308	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.4195	0.456	4	106.5430	0.232	5	106.3787	0.308	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0130	0.000	1	107.6695	0.236	2	108.0682	0.501	5	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	107.3260	0.000	1	107.6695	0.236	2	108.0682	0.501	5	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.7880	0.024	2	108.7880	0.001	2	108.0682	0.501	5	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])2(NHS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4260	0.000	1	107.4260	0.000	1	108.0682	0.501	5	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]N[6a])(NCH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	108.6280	0.000	1	108.6280	0.000	1	107.9873	0.968	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	107.9340	0.000	1	107.9340	0.000	1	107.9873	0.968	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	108.6100	0.000	1	108.6100	0.000	1	107.9873	0.968	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]N[6a])(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	107.7452	1.192	5	107.7452	1.420	5	107.9873	0.968	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	105.9750	1.240	4	105.9750	1.537	4	105.9750	1.537	4	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5a]2)	107.0280	0.410	6	107.0630	0.127	8	107.0630	0.127	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5a]2)	107.2660	0.000	1	107.0630	0.127	8	107.0630	0.127	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]2H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5a]2)	107.0700	0.000	1	107.0630	0.127	8	107.0630	0.127	8	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:2:4:	4:	C[6a]-3:P-3:P-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]N[6a])(PCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]PP)	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.0322	1.052	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	H(CC[6a]C[5]2)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	H(CC[6a]C[5]2)	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.0725	0.291	2	106.0725	0.084	2	106.0725	0.084	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	107.1830	0.000	1	107.1830	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	107.3150	0.000	1	107.3150	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.8785	0.124	2	106.8785	0.015	2	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.6020	0.000	1	106.6020	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]2C[6a])	105.3900	0.000	1	105.3900	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]2C[6a])	107.8550	0.000	1	107.8550	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]2H){1|H<1>,2|C<3>}	H(CC[5a]2C[6a])	106.9670	0.000	1	106.9670	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.9090	0.000	1	106.9090	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	105.8480	0.000	1	105.8480	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.3050	0.000	1	106.3050	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|F<1>,1|H<1>}	H(CC[5a]2C[6a])	106.0775	0.829	2	106.2099	0.281	22	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]2C[6a])	106.3030	0.717	2	106.2099	0.281	22	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	H(CC[5a]2C[6a])	107.2340	0.000	1	106.2099	0.281	22	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.1542	0.471	17	106.2099	0.281	22	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.3900	0.000	1	106.3900	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5a]2H){2|C<3>}	H(CC[5a]2C[6a])	106.5570	0.041	2	106.5570	0.002	2	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	105.7410	0.000	1	105.7410	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	105.4620	0.000	1	105.4620	0.000	1	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.7967	0.393	3	106.7967	0.155	3	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5a]2H){2|C<3>}	H(CC[5a]2C[6a])	105.7200	1.119	4	105.7200	1.253	4	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5a]2H){1|C<3>,2|F<1>}	H(CC[5a]2C[6a])	107.0498	0.629	15	107.0498	0.395	15	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]2C[6a])	106.9350	0.000	1	106.6140	0.201	3	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	106.8050	0.000	1	106.6140	0.201	3	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2H){2|Cl<1>,1|C<3>}	H(CC[5a]2C[6a])	106.1020	0.000	1	106.6140	0.201	3	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]2C[6a])	107.3560	0.000	1	107.1988	0.258	14	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|C<4>}	H(CC[5a]2C[6a])	106.0440	0.000	1	107.1988	0.258	14	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H)	H(CC[5a]2C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]2H){1|C<3>,2|H<1>}	H(CC[5a]2C[6a])	107.2819	0.418	12	107.1988	0.258	14	106.6376	0.537	77	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[5a]CH){1|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	104.8920	0.184	2	104.8920	0.034	2	104.8920	0.034	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.6390	0.000	1	106.6390	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.2910	0.120	2	106.2910	0.014	2	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.2793	1.578	3	107.2793	2.491	3	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.0790	1.119	2	107.0790	1.251	2	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.1510	0.000	1	107.1510	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.8450	0.000	1	107.8450	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.1220	0.000	1	106.1220	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	108.5485	0.057	4	108.5485	0.003	4	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.4680	0.000	1	106.4680	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.1300	0.000	1	107.1300	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	108.2490	0.000	1	108.2490	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	108.3370	0.000	1	108.3370	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.9310	0.000	1	106.9310	0.000	1	107.3822	1.025	20	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	105.2640	0.000	1	105.2640	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	111.7370	0.000	1	111.7370	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	107.8940	0.000	1	107.8940	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	109.1900	0.000	1	109.1900	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	107.5140	0.567	2	107.5140	0.322	2	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	105.4070	0.000	1	105.4070	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.3910	0.062	2	106.3910	0.004	2	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.4663	0.291	3	106.4663	0.085	3	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.4700	0.228	2	106.4700	0.052	2	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	105.9290	0.000	1	105.9290	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	107.3030	0.000	1	107.3030	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.6680	0.168	2	106.6680	0.028	2	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]HN){2|H<1>,3|C<3>}	H(CC[5a]C[6a]N)	104.9000	0.000	1	104.9000	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.0280	0.000	1	106.0280	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	107.5920	1.260	3	107.5920	1.588	3	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.4920	0.000	1	106.4920	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.8260	0.000	1	106.8260	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	106.7750	0.000	1	106.7750	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CC[5a]HN){2|C<3>}	H(CC[5a]C[6a]N)	108.1010	0.000	1	108.1010	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HN){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N)	107.9170	0.000	1	107.9170	0.000	1	107.0009	1.862	28	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.2870	0.000	1	104.2870	0.000	1	104.6587	0.119	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.8445	0.175	2	104.8445	0.031	2	104.6587	0.119	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	109.5940	0.000	1	109.5940	0.000	1	108.3975	2.863	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.2010	0.000	1	107.2010	0.000	1	108.3975	2.863	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.5710	0.000	1	106.5710	0.000	1	107.7810	0.464	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.1420	0.000	1	108.1420	0.000	1	107.7810	0.464	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.6750	0.000	1	107.6750	0.000	1	107.7810	0.464	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.1635	0.302	2	107.1635	0.091	2	107.7810	0.464	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.3285	0.134	4	108.3285	0.018	4	107.7810	0.464	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.4268	0.325	5	108.4268	0.105	5	108.4268	0.105	5	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6]HS){2|C<3>}	H(CC[6a]C[6]S)	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:B[5]-3:B[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CB[5]2H)	H(CC[6a]B[5]2)	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CB[5]2H){1|C<3>,2|H<1>}	H(CC[6a]B[5]2)	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:B[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HN)	H(CC[6a]B[5]N)	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	C[6a](C[6a]C[6a]H)2(CB[5]HN){1|C<3>,2|H<1>}	H(CC[6a]B[5]N)	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCC)(COO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CCC)(COO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(COO)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(COO)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]CC)	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrC)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrC)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.6040	0.000	1	104.6040	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9040	0.000	1	106.9040	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCC)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.0670	0.000	1	106.0670	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.9640	0.000	1	108.9640	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.4000	0.000	1	108.8670	0.568	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	108.3340	0.000	1	108.8670	0.568	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCN)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3655	0.151	2	107.3655	0.023	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1590	0.000	1	107.1590	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCN)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2070	0.000	1	108.2070	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.2140	0.000	1	106.2140	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5070	0.000	1	106.5070	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4260	0.000	1	107.4260	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	97.8397	0.000	1	97.8397	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CNO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.6110	0.000	1	108.6110	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CNO)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.8260	0.000	1	108.8260	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNS)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CNS)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3840	0.000	1	107.3840	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]C)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]C)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.2720	0.000	1	104.2720	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	105.8360	0.000	1	105.8360	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	106.3095	0.749	2	105.8895	0.350	12	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CC)	105.0960	0.000	1	105.8895	0.350	12	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	105.7230	0.624	3	105.8895	0.350	12	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	106.2830	0.000	1	105.8895	0.350	12	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	105.9014	0.569	5	105.8895	0.350	12	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.3070	0.000	1	109.3070	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>,1|S<4>}	H(CC[6a]CC)	106.2010	0.000	1	107.5830	1.433	3	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]CC)	108.2740	0.035	2	107.5830	1.433	3	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCCH){4|C<3>}	H(CC[6a]CC)	107.2720	0.000	1	107.2720	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2540	0.000	1	107.2540	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.0450	0.000	1	108.0450	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]CC)	108.3725	0.033	2	108.2313	0.059	6	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	108.2200	0.000	1	108.2313	0.059	6	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CC)	108.2220	0.000	1	108.2313	0.059	6	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	108.1005	0.466	2	108.2313	0.059	6	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5040	0.990	2	107.5040	0.980	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2870	0.861	2	107.2870	0.742	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|N<3>}	H(CC[6a]CC)	108.2545	0.149	2	108.2545	0.022	2	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	108.6330	0.000	1	108.6330	0.000	1	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(COO)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5123	1.560	3	107.5123	2.435	3	107.0229	3.244	54	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(COO)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(COO)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6a]CC)	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]CN)	107.3530	0.000	1	107.3530	0.000	1	107.0172	0.447	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CN)	107.0680	0.000	1	107.0680	0.000	1	107.0172	0.447	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]CN)	107.5830	0.000	1	107.5830	0.000	1	107.0172	0.447	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]CN)	106.0650	0.000	1	106.0650	0.000	1	107.0172	0.447	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CN)	107.3110	0.761	2	107.3110	0.579	2	107.3110	0.579	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCC)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.8655	0.111	2	106.8655	0.012	2	107.4230	0.224	6	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.5025	0.124	2	107.5025	0.015	2	107.4230	0.224	6	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.9010	0.051	2	107.9010	0.003	2	107.4230	0.224	6	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(NCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.7520	0.000	1	105.7520	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.0030	0.000	1	109.0030	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	111.2540	4.098	2	111.2540	16.797	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5959	2.259	9	106.5959	5.103	9	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.7895	3.801	2	109.7895	14.445	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0980	0.445	2	108.0980	0.198	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7790	0.202	2	106.7790	0.041	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.4110	0.409	2	108.4110	0.167	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5160	0.000	1	108.5160	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCN)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCN)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.3020	0.000	1	108.3020	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3420	0.000	1	107.3420	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8585	0.039	2	107.8585	0.002	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]C)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6065	0.713	2	106.6065	0.509	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4150	0.688	3	107.4150	0.473	3	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHN){2|C<3>}	H(CC[6a]CN)	111.5310	0.000	1	111.5310	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9622	0.289	5	108.9622	0.084	5	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.5787	0.245	4	109.5787	0.060	4	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1090	0.000	1	108.1090	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClC)(NCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClC)(NCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	109.1270	0.000	1	109.1270	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHN){2|C<3>}	H(CC[6a]CN)	103.5500	0.000	1	103.5500	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	105.7860	0.000	1	105.7860	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	103.6620	0.000	1	103.6620	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	106.1680	0.000	1	106.1680	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	107.2290	0.000	1	107.0810	0.044	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9330	0.000	1	107.0810	0.044	2	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0175	1.095	15	108.0175	1.199	15	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2740	0.000	1	108.2740	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.9740	0.000	1	109.9740	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[6]O)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9520	0.000	1	108.9520	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1450	0.000	1	107.1450	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	H(CC[6a]CN)	106.1390	0.000	1	106.1390	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2848	1.316	11	108.2407	1.598	12	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.7560	0.000	1	108.2407	1.598	12	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.2780	0.872	3	109.2780	0.761	3	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(COO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6852	0.625	4	108.6852	0.390	4	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiC)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CSiC)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8320	0.000	1	106.8320	0.000	1	108.0043	3.032	89	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(ONi2)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]N)(ONi2)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	114.9700	0.380	2	114.9700	0.145	2	114.9700	0.145	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.1740	0.000	1	106.1740	0.000	1	106.8510	0.917	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.5280	0.000	1	107.5280	0.000	1	106.8510	0.917	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	H(CC[6a]C[5]2)	C(C[6a]C[6a]2)(C[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	H(CC[6a]C[5]2)	105.2993	0.182	4	105.2993	0.033	4	105.2993	0.033	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H)	H(CC[6a]C[5]C[6])	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[5]C[6])	105.2540	0.000	1	105.2540	0.000	1	105.2540	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN){2|C<3>,2|N<2>}	H(CC[5a]C[6a]N)	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HN)	H(CC[5a]C[6a]N)	C(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]S[5a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]HN){2|H<1>,3|C<3>}	H(CC[5a]C[6a]N)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.9080	0.000	1	104.9080	0.000	1	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]C[6]2)	103.7980	0.000	1	104.1850	0.454	17	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[6]2)	103.8670	0.000	1	104.1850	0.454	17	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]2)	104.0420	0.000	1	104.1850	0.454	17	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.2665	0.756	13	104.1850	0.454	17	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|O<2>}	H(CC[6a]C[6]2)	103.9730	0.000	1	104.1850	0.454	17	104.2252	0.456	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]HN){1|C<3>,1|C<4>}	H(CC[6a]C[6]N)	107.1830	0.465	2	107.1830	0.216	2	105.9003	4.305	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	103.7460	1.795	2	103.7460	3.221	2	105.9003	4.305	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.4813	2.099	3	106.4813	4.404	3	105.9003	4.305	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH)	H(CC[6a]2B)	C(C[6a]C[6a]2)2(BC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[6a]BH){1|C<3>,2|F<1>}	H(CC[6a]2B)	101.8700	0.011	2	101.8700	0.000	2	101.8700	0.000	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2C)	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	106.6050	0.000	1	106.6050	0.000	1	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]2C)	107.2910	0.208	5	107.3212	0.040	6	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|I<1>,3|C<3>}	H(CC[6a]2C)	107.4720	0.000	1	107.3212	0.040	6	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	113.5460	0.000	1	113.5460	0.000	1	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	107.0583	0.389	3	107.0583	0.151	3	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	105.7830	0.000	1	105.7830	0.000	1	107.5863	3.772	12	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.2220	0.000	1	107.2220	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.5330	0.000	1	106.5330	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.2997	0.211	6	107.2997	0.045	6	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	104.8390	0.000	1	104.8390	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	107.2880	0.000	1	107.2880	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.7120	0.000	1	106.5120	0.619	3	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	106.9120	0.528	2	106.5120	0.619	3	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.9230	0.000	1	107.0545	0.035	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.1860	0.000	1	107.0545	0.035	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	107.1780	0.000	1	107.1780	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9410	0.000	1	106.9410	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	105.8815	0.108	2	105.8975	0.013	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.9135	0.163	2	105.8975	0.013	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.7170	1.253	2	106.7170	1.570	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.3470	0.744	2	105.3470	0.553	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.5115	0.063	2	106.5115	0.004	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.8040	6.344	2	107.8040	40.248	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.4720	0.000	1	106.7507	2.852	16	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.7693	1.746	15	106.7507	2.852	16	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.9870	0.000	1	105.9870	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCI)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.0770	0.000	1	106.0770	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.7857	0.493	6	105.7857	0.243	6	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.7500	0.321	2	106.7500	0.103	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0045	1.859	2	107.0045	3.456	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	104.0780	0.014	2	104.0780	0.000	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.2060	0.859	6	105.2060	0.737	6	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	106.8480	0.000	1	106.8480	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	107.1115	0.037	2	107.1257	0.005	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0580	0.000	1	107.1257	0.005	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	107.2220	0.000	1	107.1257	0.005	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0864	0.255	7	107.0864	0.065	7	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CClC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CClC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.1082	0.270	6	106.1082	0.073	6	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,2|C<3>}	H(CC[6a]2C)	107.7050	0.243	2	107.7050	0.059	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.7600	0.000	2	107.7600	0.000	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.8081	0.807	20	105.8081	0.651	20	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.0600	0.000	1	108.0600	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.6790	0.287	2	107.6790	0.082	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.2764	0.431	30	107.2764	0.186	30	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.7867	0.245	7	107.7867	0.060	7	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.6390	0.010	2	107.6390	0.000	2	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	106.5330	0.000	1	106.5330	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]C)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	104.5340	0.000	1	104.5340	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.2330	0.000	1	107.2330	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.5620	0.000	1	106.5620	0.000	1	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.3110	0.459	3	107.1163	0.292	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.5320	0.000	1	107.1163	0.292	4	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.7230	0.000	1	106.8698	0.622	43	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.9180	0.000	1	106.8698	0.622	43	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.8722	0.808	41	106.8698	0.622	43	106.7220	1.230	200	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])3(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[5a,6a]C[6a])3(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]3)	104.0073	1.173	3	104.0073	1.376	3	104.0073	1.376	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]2H){2|C<3>,2|C<4>}	H(CC[6a]3)	103.3910	0.000	1	103.3910	0.000	1	104.6165	3.004	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]3)	105.8420	0.000	1	105.8420	0.000	1	104.6165	3.004	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]2H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]3)	105.2000	0.000	1	105.2000	0.000	1	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]3)	106.7287	0.551	6	106.4504	0.420	11	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]3)	105.9300	0.567	4	106.4504	0.420	11	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2H){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]3)	106.8620	0.000	1	106.4504	0.420	11	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	H(CC[6a]3)	105.0680	0.159	3	105.0680	0.025	3	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]2H){2|H<1>,3|C<3>}	H(CC[6a]3)	106.0560	0.000	1	106.0560	0.000	1	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,3|C<3>}	H(CC[6a]3)	106.2260	0.000	1	106.2260	0.000	1	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]2H){2|H<1>,3|C<3>}	H(CC[6a]3)	103.5700	0.006	2	103.5700	0.000	2	105.8305	1.169	19	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	H(CC[6a]3)	103.3880	0.000	1	103.3880	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.0160	1.472	3	105.0160	2.165	3	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.8290	0.680	4	105.8290	0.463	4	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	106.8560	0.000	1	106.0085	1.437	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]3)	105.1610	0.000	1	106.0085	1.437	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	105.0977	0.163	3	106.1349	0.565	28	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.2593	0.695	25	106.1349	0.565	28	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	103.5450	0.000	1	103.5450	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	107.3000	0.024	2	107.3000	0.001	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)2(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.4758	0.214	4	106.4758	0.046	4	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	105.8710	0.119	2	105.8710	0.014	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]3)	107.1205	0.104	2	107.1205	0.011	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]3)	106.7470	0.000	2	106.7470	0.000	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,2|C<3>}	H(CC[6a]3)	106.4007	0.642	6	106.4021	0.427	9	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]3)	106.4050	0.823	3	106.4021	0.427	9	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CC[6a]2H){2|C<3>}	H(CC[6a]3)	104.2648	0.139	4	104.2648	0.019	4	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	105.6470	0.316	5	105.4367	0.469	43	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]3)	106.3570	0.345	4	105.4367	0.469	43	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.2976	0.667	34	105.4367	0.469	43	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	106.1840	0.000	1	106.2757	0.006	3	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	106.3215	0.015	2	106.2757	0.006	3	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.3502	0.337	6	106.3502	0.113	6	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	106.3650	0.000	1	106.3650	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]3)	106.2883	0.247	3	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]3)	106.1727	0.548	20	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	106.6970	0.000	1	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]3)	106.0928	0.476	17	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]3)	106.1013	0.311	8	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]3)	106.4030	0.000	1	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	106.2991	0.498	319	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.8638	0.334	6	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]3)	106.2406	0.328	16	106.2717	0.240	391	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	106.6567	0.681	7	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]3)	107.2518	0.199	8	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]3)	107.4420	3.423	3	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	105.4718	1.944	81	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.2345	1.422	35	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|C<4>,2|C<3>}	H(CC[6a]3)	106.5038	0.605	19	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]3)	106.5793	1.241	3	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]3)	108.0512	0.214	5	106.0368	3.002	161	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.6857	0.526	8	106.6857	0.277	8	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]3)	106.4730	0.140	2	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]3)	106.2802	0.509	10	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]3)	106.5636	1.376	5	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]3)	106.0280	0.000	1	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]3)	106.0490	0.412	6	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	106.0131	0.777	51	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.3711	0.588	1238	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|O<2>}	H(CC[6a]3)	106.6022	0.535	9	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<4>,2|C<3>}	H(CC[6a]3)	106.3257	0.298	3	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]3)	106.7113	0.417	3	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]3)	106.2350	0.000	1	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|N<2>,2|H<1>}	H(CC[6a]3)	106.0080	0.000	1	106.3577	0.361	1330	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<2>,2|C<3>,2|C<4>}	H(CC[6a]3)	106.1012	0.649	6	106.6304	0.293	132	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|F<1>,3|C<3>}	H(CC[6a]3)	106.6610	0.000	1	106.6304	0.293	132	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]3)	106.5900	0.488	28	106.6304	0.293	132	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	H(CC[6a]3)	106.6745	0.539	97	106.6304	0.293	132	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	103.7160	0.018	2	103.7160	0.000	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]2)3(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	H(CC[6a]3)	102.6155	0.107	6	102.6155	0.012	6	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]2H){1|Cl<1>,1|C<3>,1|N<2>}	H(CC[6a]3)	106.1285	0.009	2	106.1285	0.000	2	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.4770	0.000	1	105.4770	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	105.4290	0.000	1	105.4290	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.7730	0.000	1	106.7730	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.2790	0.000	1	106.2790	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]3)	106.2430	0.000	1	106.2430	0.000	1	106.2930	0.624	2154	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	H(CC[6a]3)	C(C[6a]C[6a]N[6a])3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]3)	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2N)	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]2N)	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	107.5670	0.000	1	107.5670	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	107.6305	1.034	23	107.6305	1.069	23	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]HN){1|H<1>,3|C<3>}	H(CC[6a]2N)	106.7200	0.000	1	106.7200	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]HN){1|H<1>,4|C<3>}	H(CC[6a]2N)	106.5945	0.504	2	106.5945	0.254	2	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	105.2020	0.000	1	105.2020	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	108.6250	0.000	1	108.6250	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	107.9840	0.000	1	107.9840	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])2(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	108.0510	0.000	1	108.0510	0.000	1	107.5110	1.117	31	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2N)	105.9690	0.000	1	105.9690	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.0440	0.000	1	107.0440	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5030	0.000	1	107.5030	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1405	0.241	2	107.1405	0.058	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2N)	106.0400	0.430	2	107.6096	1.158	22	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2N)	106.6090	0.000	1	107.6096	1.158	22	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.8275	0.980	19	107.6096	1.158	22	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	H(CC[6a]2N)	106.9515	1.330	2	106.9515	1.769	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.2030	0.000	1	105.2030	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.6570	0.000	1	108.6570	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NBaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NBaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.7240	0.384	4	107.7240	0.147	4	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]HN){2|C<3>}	H(CC[6a]2N)	104.9725	0.325	2	104.9725	0.105	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5790	0.000	1	107.5790	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.0408	1.517	37	107.0408	2.300	37	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.2445	0.009	2	107.2445	0.000	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5553	0.115	4	107.5553	0.013	4	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|Br<1>,2|C<3>}	H(CC[6a]2N)	107.2440	0.379	6	107.4122	0.469	39	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4717	0.807	25	107.4122	0.469	39	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	107.3521	0.408	8	107.4122	0.469	39	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2N)	103.5470	0.000	1	103.5470	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2N)	106.7790	0.000	1	106.6405	0.038	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	106.5020	0.000	1	106.6405	0.038	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	106.5870	0.000	1	106.5870	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.8650	0.000	1	105.8650	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2N)	106.6870	0.000	1	106.6870	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2N)	103.4720	0.000	1	106.0008	1.651	6	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	H(CC[6a]2N)	106.2705	0.569	2	106.0008	1.651	6	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.6640	0.187	3	106.0008	1.651	6	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	103.1930	0.000	1	103.1930	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2N)	104.0745	0.011	2	104.0745	0.000	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	103.9018	0.398	5	103.9018	0.159	5	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){2|Cl<1>,1|C<3>}	H(CC[6a]2N)	106.0540	0.000	1	106.0540	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.9790	0.000	1	105.9790	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.4060	0.000	1	105.4060	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.4060	0.000	1	105.4060	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	104.9940	0.000	1	104.9940	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.6880	0.000	1	105.6880	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6a]Sn)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4713	0.277	12	107.4713	0.077	12	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCaP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5500	0.000	1	107.5500	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.2598	0.415	5	106.2598	0.172	5	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0454	1.211	25	108.0454	1.466	25	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NFeC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1142	1.698	6	107.1142	2.884	6	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.3205	0.013	2	108.3205	0.000	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	105.4660	0.000	1	105.4660	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	106.8030	0.154	2	106.8030	0.024	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]HN){2|H<1>,3|C<3>}	H(CC[6a]2N)	107.0715	0.136	2	107.0715	0.019	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2N)	107.7510	0.229	2	107.8667	0.066	3	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0980	0.000	1	107.8667	0.066	3	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4937	0.617	3	107.4937	0.381	3	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.2880	0.639	2	107.2880	0.409	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.8270	0.000	1	106.8270	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N)	108.4627	3.343	3	108.4627	11.175	3	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.9595	1.729	4	107.0082	2.253	5	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N)	107.2030	0.000	1	107.0082	2.253	5	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|C<4>}	H(CC[6a]2N)	106.3705	0.951	2	106.7987	5.269	15	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.8646	2.457	13	106.7987	5.269	15	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NHS)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.5293	0.678	3	106.5293	0.460	3	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.2480	0.000	1	105.2480	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.3130	0.000	1	105.3130	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1400	0.000	1	107.1400	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.3520	0.427	13	106.3520	0.182	13	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]2N)	107.5830	0.000	1	107.5830	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NRhC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.6620	0.000	1	107.6620	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]2N)	107.6490	0.741	2	107.6490	0.549	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NRhS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5275	0.743	2	107.5275	0.552	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NSrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NSrC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.6770	0.850	4	106.6770	0.722	4	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NSrP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NSrP)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.0460	0.083	2	108.0460	0.007	2	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.3560	0.000	1	107.3560	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.9820	0.000	1	107.9820	0.000	1	107.0588	1.928	267	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	106.0100	0.000	1	106.0100	0.000	1	107.1060	1.207	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	106.0810	0.000	1	106.0810	0.000	1	107.1060	1.207	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.0550	1.684	2	107.0550	2.837	2	107.1060	1.207	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OB[5]Mg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OB[5]Mg)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	107.2710	0.000	1	107.2710	0.000	1	107.1060	1.207	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(OSn2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO)	H(CC[6a]2O)	C(C[6a]C[6a]2)2(OSn2)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HO){1|C<3>,2|H<1>}	H(CC[6a]2O)	108.1350	0.017	2	108.1350	0.000	2	107.1060	1.207	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	108.0940	0.041	3	108.0940	0.002	3	107.7192	0.314	5	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	107.1570	0.448	2	107.1570	0.201	2	107.7192	0.314	5	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	108.0415	1.031	14	108.0415	1.062	14	107.9830	0.880	17	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SRhC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	107.7100	0.030	3	107.7100	0.001	3	107.9830	0.880	17	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN){2|H<1>,5|C<3>}	H(CC[6a]CN)	104.5630	0.000	1	104.5630	0.000	1	104.5630	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2850	0.000	1	106.2850	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.8740	0.000	1	104.8740	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4026	0.874	5	107.4026	0.764	5	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CN)	105.9790	0.000	1	106.0335	0.606	4	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0517	0.953	3	106.0335	0.606	4	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5620	0.000	1	108.5620	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1915	0.281	2	109.1915	0.079	2	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8770	0.000	1	107.8770	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0050	0.000	1	108.0050	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1640	0.317	3	108.1640	0.100	3	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9870	0.000	1	108.9870	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2710	0.000	1	108.2710	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	109.0890	0.000	1	109.0890	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4800	0.338	2	108.4800	0.114	2	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6160	0.000	1	107.6160	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	109.2450	0.000	1	109.2450	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NN[6]C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1800	0.689	3	107.1800	0.475	3	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiC)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.2933	0.461	4	109.2933	0.213	4	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[5]H)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[5]H)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6725	0.595	2	107.6725	0.354	2	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnC)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9160	0.000	1	108.9160	0.000	1	107.8546	1.538	36	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]F)2(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]F)2(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	107.8080	0.000	1	107.8080	0.000	1	108.4129	1.020	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NC[6a]H)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	107.6873	0.276	3	107.6873	0.076	3	108.4129	1.020	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NCoC)2(H)	C[6a](C[6a]C[6a]H)2(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	107.2030	0.000	1	107.2030	0.000	1	108.4129	1.020	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NFeC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]NN)	109.8540	0.000	1	109.4108	0.206	4	108.4129	1.020	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNN)	H(CC[6a]NN)	C(C[6a]C[6a]2)(NFeC)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNN){1|C<3>,2|H<1>}	H(CC[6a]NN)	109.2630	0.421	3	109.4108	0.206	4	108.4129	1.020	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[4]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	105.2210	0.000	1	105.2210	0.000	1	106.1855	1.861	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[4]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	107.1500	0.000	1	107.1500	0.000	1	106.1855	1.861	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CN[5]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	106.4620	0.337	2	106.4620	0.113	2	106.7871	0.484	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.6280	0.000	1	105.6280	0.000	1	106.7871	0.484	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.2395	0.372	4	107.2395	0.138	4	106.7871	0.484	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	H(CC[6a]N[5]N)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,2|H<1>}	H(CC[6a]N[5]N)	106.5097	0.451	3	106.5097	0.203	3	106.7965	0.464	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	H(CC[6a]N[5]N)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[5]N)	107.6570	0.000	1	107.6570	0.000	1	106.7965	0.464	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5]2H)	H(CC[6a]N[5]2)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5]2H){2|C<3>,2|C<4>}	H(CC[6a]N[5]2)	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]2H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5]2)	107.5160	0.000	1	107.5160	0.000	1	107.9494	1.399	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5]2)	108.0036	1.253	8	108.0036	1.569	8	107.9494	1.399	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]N[6]H)	H(CC[6a]N[5]N[6])	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]N[6]H){1|C<3>,2|H<1>}	H(CC[6a]N[5]N[6])	105.2270	0.000	1	105.2270	0.000	1	105.2270	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HS)	H(CC[6a]N[5]S)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HS){1|C<3>,2|H<1>}	H(CC[6a]N[5]S)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.9550	0.000	1	106.9550	0.000	1	107.6343	0.457	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.6410	0.000	1	107.6410	0.000	1	107.6343	0.457	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	108.3070	0.000	1	108.3070	0.000	1	107.6343	0.457	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H){1|H<1>,3|C<3>}	H(CC[6a]N[5a]2)	106.8160	0.529	2	106.8160	0.280	2	106.8160	0.280	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5a]2)	107.1060	0.345	2	107.1060	0.119	2	107.1060	0.119	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]2H){2|H<1>,3|C<3>}	H(CC[6a]N[5a]2)	107.0945	0.029	2	107.0945	0.001	2	107.0945	0.001	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	109.3540	0.000	1	109.3540	0.000	1	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.6850	0.000	1	107.6850	0.000	1	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	108.0100	0.000	1	108.0100	0.000	1	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	109.3260	0.000	1	109.3260	0.000	1	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.5430	0.000	1	106.5430	0.000	1	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.9055	2.403	2	107.9055	5.777	2	108.1041	1.922	7	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6]HN){2|H<1>,3|C<3>}	H(CC[6a]N[6]N)	107.9330	0.000	1	107.9330	0.000	1	107.3137	0.436	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN){1|N<2>,2|H<1>}	H(CC[6a]N[6]N)	106.7430	0.016	2	106.7430	0.000	2	107.3137	0.436	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CN[6]HN){1|C<3>,2|H<1>}	H(CC[6a]N[6]N)	107.8360	0.000	1	107.8360	0.000	1	107.3137	0.436	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]2)	107.4520	0.000	1	107.2860	0.055	2	107.5925	0.153	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H)	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]2H){1|C<3>,2|H<1>}	H(CC[6a]N[6]2)	107.1200	0.000	1	107.2860	0.055	2	107.5925	0.153	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H)	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[6]2)	108.0200	0.000	1	107.8990	0.029	2	107.5925	0.153	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H)	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	C[6a](C[6a]C[6a]H)2(CN[6]2H){1|C<3>,2|H<1>}	H(CC[6a]N[6]2)	107.7780	0.000	1	107.8990	0.029	2	107.5925	0.153	4	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH)	H(CC[6a]N[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]C)	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:O-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ONiH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ONiH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8260	0.000	1	108.8260	0.000	1	108.1270	0.977	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:O-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OOsH)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OOsH)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.4280	0.000	1	107.4280	0.000	1	108.1270	0.977	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	109.3515	0.795	2	109.3515	0.633	2	109.3515	0.633	2	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:S-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SZr2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SZr2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[4]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.3254	0.506	7	107.3254	0.256	7	107.2584	0.622	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	108.3070	0.000	1	108.3070	0.000	1	107.2584	0.622	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.7410	0.000	1	105.7410	0.000	1	107.2584	0.622	9	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN)	H(CC[6a]N[5]N)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HN){1|C<3>,2|H<1>}	H(CC[6a]N[5]N)	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H){1|C<3>,2|C<4>}	H(CC[6a]N[5]2)	104.7977	0.759	7	105.7301	2.759	13	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5]2)	106.8178	1.815	6	105.7301	2.759	13	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5]2)	106.5577	1.038	3	106.5577	1.077	3	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.2122	0.682	23	107.2264	0.472	36	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]2)	107.9080	0.000	1	107.2264	0.472	36	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|C<3>,2|C<4>}	H(CC[6a]N[5]2)	107.0881	0.589	8	107.2264	0.472	36	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5]2)	107.0920	0.966	3	107.2264	0.472	36	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]2H){1|H<1>,2|C<3>}	H(CC[6a]N[5]2)	108.3790	0.000	1	107.2264	0.472	36	106.8137	1.439	52	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	108.1370	0.000	1	108.1370	0.000	1	107.5200	0.286	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.2370	0.000	1	107.2370	0.000	1	107.5200	0.286	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.1860	0.000	1	107.1860	0.000	1	107.5200	0.286	3	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CN[5a]2H){1|O<2>,2|C<3>}	H(CC[6a]N[5a]2)	106.9310	0.214	2	106.9310	0.046	2	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]N[5a]2)	107.3010	0.000	1	107.0652	0.288	6	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]2)	106.8443	0.506	4	107.0652	0.288	6	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5a]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5a]2)	107.7130	0.000	1	107.0652	0.288	6	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]2)	106.1010	0.223	2	106.7853	0.275	10	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,2|C<4>}	H(CC[6a]N[5a]2)	106.9364	0.454	7	106.7853	0.275	10	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H)	H(CC[6a]N[5a]2)	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]2H){1|C<3>,2|H<1>}	H(CC[6a]N[5a]2)	107.0960	0.000	1	106.7853	0.275	10	106.8948	0.251	18	106.5494	1.274	3255	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[5a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]2)	105.6905	0.647	2	105.6905	0.419	2	105.6905	0.419	2	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	109.2820	0.061	2	109.2820	0.004	2	107.6958	3.415	4	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pd)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4060	0.000	1	106.4060	0.000	1	107.6958	3.415	4	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H)	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Pt)(CC[6a]C[6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	105.8130	0.000	1	105.8130	0.000	1	107.6958	3.415	4	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(CC[5a]C[6a]2)	104.5485	0.161	2	104.5485	0.026	2	104.5485	0.026	2	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H)	H(CC[6a]2B[5])	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2B[5])	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(CC[5a]C[6a]2)	104.8350	0.027	2	104.8350	0.001	2	104.8350	0.001	2	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	H(CC[6a]2C[6])	103.7610	0.000	1	103.7610	0.000	1	104.0597	0.178	3	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]O)(CC[6a]C[6]H)(C[6a]O[6a]O){2|C<3>}	H(CC[6a]2C[6])	104.2090	0.471	2	104.2090	0.222	2	104.0597	0.178	3	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]H)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(CC[6a]2N[5])	106.2540	0.000	1	106.2540	0.000	1	107.5307	0.431	6	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[5]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(CC[6a]2N[5])	107.7860	0.224	5	107.7860	0.050	5	107.5307	0.431	6	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]N[5]H)(C[6a]C[6a]H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]Ir)(CC[6a]N[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.4060	0.912	3	106.4060	0.832	3	106.4060	0.832	3	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5a])	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2N[5a])	107.2705	0.360	2	107.2705	0.130	2	107.2705	0.130	2	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(CC[6a]2N[6])	107.7582	0.352	12	107.7582	0.124	12	107.7582	0.124	12	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C[6,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H)	H(CC[6a]N[5a]N[5])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(CN[5a]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>}	H(CC[6a]N[5a]N[5])	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a,6a]H)(CC[6a]N[5]H)(C[6a]C[6a]H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a,6a]H)(CC[6a]N[5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2N[5])	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H)	H(CC[6a]2N[6])	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(CC[6a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2N[6])	106.4458	0.329	4	106.4458	0.108	4	106.4458	0.108	4	106.7700	1.909	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:O[6a]-2:	C-4:	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a])	H(CC[5a]C[6a]2)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>}	H(CC[5a]C[6a]2)	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.0015	0.282	11	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[6a]2N[5])	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.9855	0.556	10	106.9855	0.310	10	106.9855	0.310	10	107.0015	0.282	11	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	B[6a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2	H(CB[6a]C[6a]2)	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](CB[6a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CB[6a]C[6a]2)	104.8683	0.608	4	104.8683	0.370	4	104.8683	0.370	4	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	H(CC[6a]2C[5])	106.9062	0.329	12	106.9062	0.108	12	106.6522	1.117	49	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.4996	1.320	29	106.4996	1.743	29	106.6522	1.117	49	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.8225	0.583	2	106.8225	0.340	2	106.6522	1.117	49	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[6a]2C[5])	107.1885	0.041	4	107.1885	0.002	4	106.6522	1.117	49	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.0995	0.043	2	106.0995	0.002	2	106.6522	1.117	49	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C[5])	106.1590	0.000	1	106.1590	0.000	1	106.4670	0.946	7	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	106.6508	1.327	4	106.6508	1.761	4	106.4670	0.946	7	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	106.2535	0.262	2	106.2535	0.069	2	106.4670	0.946	7	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	107.0932	0.636	4	107.0932	0.405	4	107.2090	0.302	6	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	107.4405	0.371	2	107.4405	0.138	2	107.2090	0.302	6	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[6])	104.1360	0.000	1	104.1360	0.000	1	104.1360	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	107.3003	0.105	4	107.3003	0.011	4	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(CC[5a]C[6a]2)	106.3660	0.000	1	106.3660	0.000	1	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]2)	106.1430	0.000	1	105.9280	0.092	2	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	105.7130	0.000	1	105.9280	0.092	2	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[5a]C[6a]2)	105.7380	0.000	1	105.9997	0.052	3	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.1305	0.025	2	105.9997	0.052	3	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.0560	0.734	4	106.0560	0.538	4	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>}	H(CC[5a]C[6a]2)	106.6902	0.127	4	106.6195	0.025	6	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.4780	0.119	2	106.6195	0.025	6	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[5a]C[6a]2)	106.4253	0.260	6	106.1982	0.178	43	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.1613	0.434	37	106.1982	0.178	43	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]2)	107.1535	0.287	6	107.1535	0.082	6	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.9654	0.163	5	106.9654	0.027	5	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	H(CC[5a]C[6a]2)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	H(CC[5a]C[6a]2)	104.0820	0.076	2	104.0820	0.006	2	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.8453	0.235	4	106.8453	0.055	4	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(CC[5a]C[6a]2)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]2)	106.8250	0.000	1	106.8250	0.000	1	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	106.9623	0.141	3	106.9623	0.020	3	106.3915	0.416	84	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(CC[5a]C[6a]N[5a])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N[5a])	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]N[6])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[5a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]N[6])	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]N[5])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]N[5])	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.1370	0.399	2	106.1370	0.159	2	106.1370	0.159	2	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]2)	104.5745	0.192	2	104.5745	0.037	2	105.4493	2.314	3	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]2)	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]2)	107.1990	0.000	1	107.1990	0.000	1	105.4493	2.314	3	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2	H(CC[6a]2B[5])	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2B[5])	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C[5])	104.6920	0.000	1	104.6920	0.000	1	105.1345	0.298	4	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.2820	0.563	3	105.2820	0.317	3	105.1345	0.298	4	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	H(CC[6a]2C[6])	106.6900	0.000	1	106.5675	0.030	2	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4450	0.000	1	106.5675	0.030	2	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C[6])	104.5460	0.000	1	105.7269	1.017	16	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2C[6])	106.0414	0.139	5	105.7269	1.017	16	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	105.6878	1.214	10	105.7269	1.017	16	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]N[6a]O)2{1|C<3>,2|C<4>}	H(CC[6a]2C[6])	104.5430	0.000	1	104.5430	0.000	1	105.7531	1.004	19	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[3]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2	H(CC[6a]2N[3])	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[3])	109.0085	0.011	2	109.0085	0.000	2	109.0085	0.000	2	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	H(CC[6a]2N[4])	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[4])	107.4551	1.266	7	107.4551	1.604	7	107.4551	1.604	7	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(CC[6a]2N[5])	107.9730	0.000	1	107.9730	0.000	1	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]2N[5])	107.7160	0.178	2	107.4488	0.497	5	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	107.7970	0.239	2	107.4488	0.497	5	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	H(CC[6a]2N[5])	106.2180	0.000	1	107.4488	0.497	5	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.7589	1.103	11	106.7323	1.115	12	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	H(CC[6a]2N[5])	106.4390	0.000	1	106.7323	1.115	12	107.0002	1.004	18	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[5a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5a])	C(C[6a]C[6a]2)2(N[5a]C[5a]2)(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	107.0688	0.200	6	107.0688	0.040	6	107.0688	0.040	6	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]2N[6])	108.2550	0.000	1	107.7751	0.120	12	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]2N[6])	107.0780	0.000	1	107.7751	0.120	12	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[6])	107.8412	0.231	9	107.7751	0.120	12	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N[6])	107.3970	0.000	1	107.7751	0.120	12	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)2{1|C<3>,2|F<1>}	H(CC[6a]2N[6])	107.5550	0.000	1	107.5550	0.000	1	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[6a]2N[6])	107.8060	0.000	1	107.8060	0.000	1	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[6])	107.8813	1.177	88	107.8813	1.384	88	107.8649	1.208	102	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	H(CN[4,6]C[6a]2)	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CN[4,6]C[6a]2)	108.2199	1.106	14	108.2199	1.223	14	108.2199	1.223	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N[5])	107.5480	0.242	2	107.5480	0.058	2	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	107.6640	0.182	2	107.6640	0.033	2	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	107.6150	0.865	4	107.6150	0.748	4	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.2715	0.016	2	106.2715	0.000	2	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	105.8267	0.617	15	105.8267	0.381	15	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2N[5])	108.9180	0.000	1	108.9180	0.000	1	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.1410	0.000	1	106.1410	0.000	1	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2N[5])	105.9400	0.000	1	105.9400	0.000	1	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	107.5412	1.323	10	107.8774	1.527	14	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N[5])	108.7180	0.214	4	107.8774	1.527	14	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5])	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5])	106.5170	0.000	1	106.5170	0.000	1	106.9448	1.634	43	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[5a]C[6a]N[5a])	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	105.9560	0.000	1	105.9560	0.000	1	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2N[5a])	106.2140	0.000	1	108.0915	7.050	2	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2N[5a])	109.9690	0.000	1	108.0915	7.050	2	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5a])	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	105.9900	0.279	3	105.9900	0.078	3	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	106.5730	0.000	1	106.5730	0.000	1	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	106.3948	0.372	5	106.3948	0.138	5	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(CC[6a]2N[5a])	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2N[5a])	106.6090	0.000	1	106.6090	0.000	1	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2	H(CC[6a]2N[5a])	C(N[5a]C[5a]O[5a])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[5a]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2N[5a])	106.6570	0.000	1	106.6570	0.000	1	106.5659	1.072	14	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(CC[6a]2N[6])	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2N[6])	106.3845	0.221	4	106.3845	0.049	4	106.6712	0.780	9	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[6])	106.0447	0.062	3	106.0447	0.004	3	106.6712	0.780	9	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(CC[6a]2N[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]2N[6])	108.1570	0.000	1	108.1570	0.000	1	106.6712	0.780	9	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[6])	108.2120	0.000	1	108.2120	0.000	1	106.6712	0.780	9	106.9569	1.516	399	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9468	2.346	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	2:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH){1|O<1>,2|C<3>}	H(CC[6a]2C)	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	107.9468	2.346	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	2:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	H(CC[6a]CN)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	H(CC[6a]CN)	108.7770	0.000	1	108.7770	0.000	1	109.0200	0.118	2	107.9468	2.346	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	2:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	H(CC[6a]CN)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	H(CC[6a]CN)	109.2630	0.000	1	109.2630	0.000	1	109.0200	0.118	2	107.9468	2.346	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]C)	107.3960	0.437	2	107.3960	0.191	2	107.3960	0.191	2	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	107.2200	0.000	1	107.2200	0.000	1	106.6630	0.620	2	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	106.1060	0.000	1	106.1060	0.000	1	106.6630	0.620	2	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	103.9880	0.000	1	103.9880	0.000	1	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.6688	0.313	4	106.6688	0.098	4	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.9320	0.197	2	107.9320	0.039	2	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0860	0.000	1	107.0860	0.000	1	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.4810	0.000	1	107.4810	0.000	1	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]2C)	107.3578	0.249	4	107.3578	0.062	4	106.9635	1.042	13	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9020	0.000	1	107.9020	0.000	1	108.2662	0.062	4	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.4490	0.000	1	108.3877	0.004	3	108.2662	0.062	4	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	108.3570	0.057	2	108.3877	0.004	3	108.2662	0.062	4	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN[5a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5a]C)	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.5425	0.005	2	107.5425	0.000	2	107.2210	0.310	3	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.5780	0.000	1	106.5780	0.000	1	107.2210	0.310	3	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:2:4:	4:	C[6a]-3:O[4]-3:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH)	H(CC[6a]O[4]C)	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CO[4]CH){1|C<3>,2|H<1>}	H(CC[6a]O[4]C)	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	107.4541	1.239	28	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.5180	0.000	1	105.5180	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.6140	0.000	1	106.6140	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.6810	0.000	1	106.6810	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7370	0.000	1	106.7370	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.3340	0.000	1	108.3340	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9125	0.314	4	106.9125	0.098	4	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.6025	0.114	2	107.6025	0.013	2	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2820	0.000	1	107.2820	0.000	1	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.2780	0.183	4	105.2780	0.034	4	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9447	0.389	3	106.9447	0.151	3	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.4407	0.094	3	107.4407	0.009	3	106.7404	0.801	22	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]BH)	H(CC[5a]C[6a]B)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(BHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]BH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]B)	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.7315	0.077	2	106.7315	0.006	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C)	107.6660	0.000	1	107.6660	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.8595	0.293	2	106.8595	0.086	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.0514	0.482	5	107.0514	0.232	5	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.5898	0.817	4	106.5898	0.667	4	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C)	106.7340	0.489	2	106.7340	0.239	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	108.0270	0.000	1	108.0270	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH){1|H<1>,2|C<3>}	H(CC[5a]C[6a]C)	105.9220	0.000	1	105.9220	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.4830	0.000	1	107.4830	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]CH){1|H<1>,2|C<3>}	H(CC[5a]C[6a]C)	108.0520	0.000	1	108.0520	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.7600	0.000	1	107.7600	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.4820	0.000	1	107.4820	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|H<1>,1|I<1>}	H(CC[5a]C[6a]C)	107.3720	0.000	1	106.8995	0.633	10	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.8470	0.825	9	106.8995	0.633	10	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.9790	0.000	1	107.9790	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.2427	0.284	3	107.2427	0.080	3	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.5505	0.559	2	106.5505	0.313	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.3180	0.000	1	107.3180	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.0437	1.270	3	106.0437	1.613	3	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|O<2>}	H(CC[5a]C[6a]C)	106.6750	0.000	1	106.6750	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.1540	0.000	1	106.1540	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	105.7330	0.000	1	105.7330	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	105.7640	0.639	2	105.7640	0.409	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.4171	0.351	7	107.4171	0.124	7	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.9160	0.000	1	107.9160	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]C[6a]C)	107.6570	0.000	1	107.6570	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[5a]CH){1|C<3>,1|H<1>,1|N<3>}	H(CC[5a]C[6a]C)	107.9960	0.000	1	107.9960	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.8170	0.000	1	107.8170	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	105.5720	0.000	1	105.5720	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.5450	0.000	1	106.5450	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.8685	0.176	2	106.8685	0.031	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.2550	0.000	1	107.2550	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.1610	0.000	1	107.1670	0.000	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C)	107.1730	0.000	1	107.1670	0.000	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.5440	0.000	1	107.5440	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	104.1070	0.000	1	104.1070	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C)	107.0970	0.000	1	106.2397	2.401	3	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	105.8110	1.923	2	106.2397	2.401	3	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.2470	0.000	1	106.2470	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.5630	0.000	1	106.5630	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CC[5a]CH){1|C<3>,2|C<4>}	H(CC[5a]C[6a]C)	105.0380	0.000	1	105.0380	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.4805	0.042	2	107.4805	0.002	2	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.6690	0.000	1	107.6690	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.7360	0.000	1	107.7360	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[6a]C)	106.1170	0.000	1	106.1170	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[6a]C)	105.9120	0.000	1	105.9120	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,1|F<1>,1|H<1>}	H(CC[5a]C[6a]C)	107.2630	0.000	1	107.2630	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	108.1250	0.000	1	108.1250	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	107.6780	0.000	1	107.6780	0.000	1	106.9077	0.747	82	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP)	H(CC[5a]C[6a]P)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP){1|C<3>,2|H<1>}	H(CC[5a]C[6a]P)	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	105.5550	0.000	1	105.5550	0.000	1	106.2829	0.738	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	106.4093	1.122	4	106.4093	1.260	4	106.2829	0.738	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS)	H(CC[5a]C[6a]S)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HS){1|C<3>,2|H<1>}	H(CC[5a]C[6a]S)	106.3940	0.177	2	106.3940	0.031	2	106.2829	0.738	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	107.4380	0.000	1	107.4380	0.000	1	107.2420	0.077	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.0460	0.000	1	107.0460	0.000	1	107.2420	0.077	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.4558	1.937	5	106.4558	3.753	5	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.1500	0.000	1	106.1500	0.000	1	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]C)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]C)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.6060	0.000	1	106.6060	0.000	1	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.3600	0.000	1	106.3600	0.000	1	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.7460	0.371	3	108.7460	0.138	3	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.9690	0.246	2	107.9690	0.061	2	107.1978	2.386	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	H(CC[6a]SiB)	109.3070	0.000	1	109.3070	0.000	1	104.8901	5.370	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH)	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CSiBH){2|H<1>,3|C<3>}	H(CC[6a]SiB)	103.2030	2.191	2	103.2030	4.799	2	104.8901	5.370	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH)	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CSiBH){1|C<3>,2|F<1>}	H(CC[6a]SiB)	104.4533	0.887	3	104.4533	0.787	3	104.8901	5.370	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH)	H(CC[6a]SiB)	C(C[6a]C[6a]2)(BC[6a]C)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiBH){1|C<3>,2|H<1>}	H(CC[6a]SiB)	105.1580	0.000	1	105.1580	0.000	1	104.8901	5.370	7	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	106.1600	0.000	1	106.1600	0.000	1	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	107.3105	0.097	2	107.3105	0.009	2	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	107.3050	0.651	4	107.3050	0.424	4	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C[6a](C[6a]C[6a]C)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C[6a](C[6a]C[6a]C)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	105.3000	0.000	1	105.3000	0.000	1	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	108.3600	0.000	1	108.3600	0.000	1	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	107.6430	0.078	2	107.6430	0.006	2	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	H(CC[6a]B[5]C)	107.9600	0.000	1	107.9600	0.000	1	107.2422	0.758	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.2820	0.000	1	106.2820	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.2728	0.105	4	105.2728	0.011	4	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6080	0.000	1	106.6080	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.9830	0.000	1	106.9830	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2700	0.000	1	108.2700	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6840	0.000	1	107.6840	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.4670	0.000	1	104.4670	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7140	0.277	2	106.7140	0.077	2	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]C)(CNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.2100	0.000	1	109.2100	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.1670	0.000	1	105.1670	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	105.5050	0.000	1	105.5050	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.6160	0.000	1	105.6160	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]C)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	103.1785	0.050	2	103.1785	0.003	2	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.4260	0.000	1	106.4260	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5375	0.186	2	107.5375	0.035	2	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2227	0.878	3	107.2227	0.770	3	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	109.1620	0.000	1	109.1620	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.1635	0.499	4	108.1635	0.249	4	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6110	0.000	1	107.6110	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5430	0.000	1	108.5430	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.0030	0.000	1	109.0030	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8850	0.000	1	106.8850	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClN)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClN)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.1360	0.000	1	107.1360	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	101.3570	0.000	1	101.3570	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.9870	0.000	1	108.9870	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.3250	0.617	6	108.3250	0.381	6	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.9290	0.000	1	108.9290	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.6153	0.288	7	108.6165	0.071	8	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.6250	0.000	1	108.6165	0.071	8	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.2890	0.000	1	109.2890	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.1240	0.000	1	109.1240	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3880	0.000	1	108.3880	0.000	1	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	108.7090	0.000	1	107.4820	5.943	4	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	103.8270	0.000	1	107.4820	5.943	4	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.6960	0.126	2	107.4820	5.943	4	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.3220	0.370	3	108.3220	0.137	3	107.3882	3.056	61	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(CC[5]BH)	H(CC[6a]C[5]B)	C(C[6a]C[6a]2)(C[5]P[5]2)(BC[6a]2C)(H)	C[6a](C[6a]C[6a]F)2(CC[5]BH){1|C<3>,2|F<1>}	H(CC[6a]C[5]B)	103.6160	0.000	1	103.6160	0.000	1	103.6160	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2570	0.000	1	107.2570	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3740	0.000	1	107.3740	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	108.0450	0.000	1	108.0450	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.9270	0.000	1	107.9270	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]C)	106.7890	0.000	1	107.0015	0.090	2	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2140	0.000	1	107.0015	0.090	2	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.7300	0.000	1	108.7300	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.3770	0.000	1	105.3770	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	103.4710	0.000	1	103.4710	0.000	1	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.2881	0.832	11	108.2881	0.693	11	107.6677	1.926	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP)	H(CC[6a]C[5]P)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP){1|C<3>,2|H<1>}	H(CC[6a]C[5]P)	105.3300	0.000	1	105.3300	0.000	1	105.3300	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	107.4860	0.000	1	107.4860	0.000	1	106.9620	0.549	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	106.4380	0.000	1	106.4380	0.000	1	106.9620	0.549	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	107.5090	0.000	1	107.5090	0.000	1	106.4760	0.840	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	H(CC[5a]C[6a]C)	105.9595	0.282	2	105.9595	0.080	2	106.4760	0.840	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CC[6]CH){2|C<3>,2|C<4>}	H(CC[6a]C[6]C)	103.3205	0.405	2	103.3205	0.164	2	103.3205	0.164	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	104.3510	0.000	1	104.3510	0.000	1	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.1700	0.000	1	107.1700	0.000	1	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.9650	0.000	1	105.9650	0.000	1	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	107.6372	3.232	4	107.0180	4.355	9	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]C[6]C)	106.8800	0.000	1	107.0180	4.355	9	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|C<4>}	H(CC[6a]C[6]C)	106.4333	0.438	4	107.0180	4.355	9	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.6995	0.611	4	105.6995	0.373	4	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.6930	0.154	2	106.6930	0.024	2	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	105.2200	0.000	1	105.2200	0.000	1	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	104.6490	0.000	1	104.6490	0.000	1	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	104.6024	4.407	6	107.2569	65.510	7	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|H<1>,2|C<3>}	H(CC[6a]C[6]C)	123.1840	0.000	1	107.2569	65.510	7	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.1562	2.172	4	106.1562	4.716	4	106.5201	15.438	31	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2C)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]2C)	107.1090	0.000	1	107.1090	0.000	1	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,1|F<1>,3|C<3>}	H(CC[6a]2C)	105.0630	0.000	1	105.0630	0.000	1	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	106.3860	0.098	2	106.3860	0.010	2	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	107.1115	0.013	2	107.1115	0.000	2	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]2C)	107.3330	0.185	2	107.3330	0.034	2	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	106.3067	0.335	3	106.3067	0.112	3	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	107.1220	0.000	1	107.1220	0.000	1	106.6562	0.461	12	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.3550	0.000	1	107.3550	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.4490	0.000	1	108.4490	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.0650	0.000	1	105.0650	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.1120	0.000	1	107.1120	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.4360	0.023	2	106.4360	0.001	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]CH){2|H<1>,3|C<3>}	H(CC[6a]2C)	107.0865	0.033	2	107.0865	0.001	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.3120	0.141	2	107.3120	0.020	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.5770	0.000	1	106.5770	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.0925	0.094	2	108.0925	0.009	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.1600	0.000	1	107.1600	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.2500	0.000	1	107.2500	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.0800	0.000	1	106.0800	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]CH){5|C<3>}	H(CC[6a]2C)	103.3750	0.000	1	103.3750	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	104.6640	0.000	1	104.6640	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]2C)	109.3190	0.000	1	109.3190	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	104.2440	0.068	2	104.3768	0.514	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	104.5095	1.211	2	104.3768	0.514	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	104.8275	0.042	2	104.1574	1.025	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	104.5420	0.000	1	104.1574	1.025	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	103.8700	1.154	6	104.1574	1.025	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	109.9730	0.296	2	109.9730	0.087	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	106.1430	0.000	1	106.9075	0.140	22	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.8632	0.546	4	106.9075	0.140	22	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9628	0.296	17	106.9075	0.140	22	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	105.9305	0.272	2	105.9305	0.074	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.5170	0.000	1	106.5170	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.4810	0.000	1	105.4146	0.526	7	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.2368	0.605	6	105.4146	0.526	7	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]2C)	105.7700	0.000	1	105.9930	0.051	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	105.9940	0.232	2	105.9930	0.051	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.2140	0.000	1	105.9930	0.051	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	107.6900	0.516	3	107.6900	0.266	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	107.2720	0.000	1	107.2720	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]CH){2|C<3>}	H(CC[6a]2C)	107.1610	0.000	1	107.1610	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.7925	0.702	36	106.7201	0.665	46	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.3938	1.478	5	106.7201	0.665	46	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.5250	0.872	5	106.7201	0.665	46	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.4450	0.000	1	105.4450	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(CC[6a]2C)	106.3570	0.380	2	106.6972	0.210	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]2C)	106.9320	0.000	1	106.6972	0.210	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(CC[6a]2C)	107.1430	0.000	1	106.6972	0.210	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.8630	0.000	1	106.8630	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	105.8360	0.000	1	106.6780	0.789	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0990	0.717	2	106.6780	0.789	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]2C)	106.7107	0.356	65	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	107.6500	0.000	1	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]2C)	106.7398	0.301	8	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.8405	0.476	176	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]2C)	107.1062	0.442	12	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2C)	106.9245	0.334	87	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	107.1190	0.000	1	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.8008	0.564	136	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	H(CC[6a]2C)	107.1363	0.261	4	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	106.7785	0.060	2	106.8364	0.218	492	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9250	0.000	1	106.9250	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.9265	0.498	4	106.9567	0.365	44	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.1250	0.000	1	106.9567	0.365	44	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9555	0.626	39	106.9567	0.365	44	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]2C)	106.3860	0.416	2	106.6390	0.278	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]2C)	107.1450	0.000	1	106.6390	0.278	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]N[6a]O)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]N[6a]O)2(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]2C)	105.7333	0.170	3	105.7333	0.029	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	106.0580	0.000	1	106.7279	0.158	14	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.4890	0.516	2	106.7279	0.158	14	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|F<1>}	H(CC[6a]2C)	106.9320	0.000	1	106.7279	0.158	14	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.8223	0.350	10	106.7279	0.158	14	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.9090	0.000	1	105.9090	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.7900	0.000	1	105.7900	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	102.8320	0.000	1	102.8320	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9233	0.580	10	106.9233	0.336	10	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	106.8880	0.000	1	106.8880	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	105.5440	1.194	3	105.5440	1.426	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	107.4080	0.000	1	107.4080	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.7027	1.454	3	105.7027	2.113	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.0440	0.041	2	106.0440	0.002	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5]OY)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5]OY)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.3803	0.656	3	107.3803	0.430	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]2C)	107.4230	0.000	1	107.4230	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.4810	0.000	1	106.8107	0.294	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9755	0.653	2	106.8107	0.294	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.8565	0.059	2	107.8565	0.003	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0400	0.000	1	107.0400	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0700	0.000	1	107.0700	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.2550	0.018	2	106.2550	0.000	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.7965	0.344	4	106.8893	0.063	8	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9820	0.069	4	106.8893	0.063	8	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]2C)	104.1290	0.146	2	104.1290	0.021	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.4310	0.300	2	107.1669	0.101	12	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.1141	0.308	10	107.1669	0.101	12	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	104.9240	0.024	2	104.9240	0.001	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	104.4497	0.099	4	104.4497	0.010	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]2C)	105.3703	0.339	3	105.3703	0.115	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.2585	1.094	8	106.2585	1.197	8	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	105.4330	0.069	2	105.4330	0.005	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]2C)	106.1151	0.296	8	106.1151	0.087	8	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.9951	0.387	10	105.9951	0.150	10	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.6850	0.000	1	108.6850	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.1750	0.000	1	106.1750	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.2053	0.494	4	107.2053	0.244	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.1530	0.000	1	106.2673	0.030	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.4240	0.000	1	106.2673	0.030	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.2460	0.228	2	106.2673	0.030	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|O<2>}	H(CC[6a]2C)	105.4700	0.000	1	105.4700	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]2C)	106.0910	0.000	1	106.0910	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.7800	0.372	2	105.7800	0.138	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.8350	0.000	1	107.8350	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCl2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.8460	0.000	1	107.8460	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCl3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.3718	0.307	20	105.3718	0.094	20	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	106.6730	0.291	2	106.6730	0.085	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	106.8715	0.494	6	106.8715	0.244	6	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	106.4665	0.671	2	106.7636	0.301	5	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9617	0.479	3	106.7636	0.301	5	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.5310	0.000	1	105.5310	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.5190	0.000	1	107.0506	0.429	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]2C)	106.5190	0.000	1	107.0506	0.429	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.2433	0.726	6	107.0506	0.429	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9570	0.000	1	107.0506	0.429	9	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C)	106.7800	0.833	188	106.7899	0.554	243	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]2C)	106.8181	0.238	31	106.7899	0.554	243	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.8591	0.357	20	106.7899	0.554	243	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.6555	0.128	2	106.7899	0.554	243	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]2C)	106.7245	0.158	2	106.7899	0.554	243	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.3035	0.034	4	107.3035	0.001	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0137	0.472	49	107.0137	0.223	49	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,2|C<3>,2|C<4>}	H(CC[6a]2C)	107.3123	0.206	3	107.1716	0.082	19	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]2C)	107.4465	0.008	2	107.1716	0.082	19	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<3>,3|C<4>}	H(CC[6a]2C)	106.9955	0.309	8	107.1716	0.082	19	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<4>,3|C<3>}	H(CC[6a]2C)	107.2445	0.216	6	107.1716	0.082	19	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]2C)	106.9850	0.000	1	106.9850	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.5715	0.794	2	107.5715	0.631	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9560	0.000	1	107.2065	0.126	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]2C)	107.4570	0.000	1	107.2065	0.126	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.3570	0.000	1	106.8954	0.225	20	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.8711	0.474	19	106.8954	0.225	20	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.4813	0.423	3	106.4813	0.179	3	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	106.9390	0.000	1	106.9250	0.000	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9110	0.000	1	106.9250	0.000	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CNPU)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CNPU)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.1105	0.052	2	105.1105	0.003	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.5525	0.060	2	107.5525	0.004	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C)	105.7900	0.000	1	105.7900	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CSeCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.8580	0.000	1	105.8580	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(CZrNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CZrNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.6660	0.916	2	105.6660	0.840	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.4930	0.000	1	108.4930	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.0472	0.609	4	107.0472	0.371	4	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.9155	0.165	2	107.9155	0.027	2	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.1150	0.000	1	107.1150	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	108.6970	0.000	1	108.6970	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	107.3986	0.252	5	107.3986	0.064	5	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH)	H(CC[6a]2C)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	105.8360	0.000	1	105.8360	0.000	1	106.7401	0.589	1209	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1180	0.000	1	107.1180	0.000	1	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.0326	1.713	5	107.0326	2.934	5	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	104.8460	0.000	1	104.8460	0.000	1	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	104.7260	0.000	1	104.7260	0.000	1	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.7425	0.362	6	106.7425	0.131	6	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.5407	0.197	3	107.5407	0.039	3	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NC[6]RuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NC[6]RuH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.3665	0.142	4	108.3665	0.020	4	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	106.6480	0.030	2	106.6480	0.001	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.6785	1.501	2	105.6785	2.254	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NNiCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NNiCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	108.1740	0.061	3	108.1740	0.004	3	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.9613	0.462	3	105.9613	0.214	3	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	105.9623	0.460	3	105.9623	0.212	3	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4420	0.064	2	107.4420	0.004	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NPdCH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.4550	0.066	2	107.4550	0.004	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.2675	0.062	2	107.2675	0.004	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NRuCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NRuCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1185	4.075	2	107.1185	16.606	2	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HN){1|C<3>,2|H<1>}	H(CC[6a]2N)	107.1500	0.000	1	107.1500	0.000	1	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CC[6a]HN)	H(CC[6a]2N)	C(C[6a]C[6a]2)2(NSbCH)(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>}	H(CC[6a]2N)	107.1410	0.000	1	107.1410	0.000	1	106.9591	1.538	44	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	106.0935	0.035	2	106.0935	0.001	2	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	107.6685	0.023	2	107.6685	0.001	2	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	107.7625	0.042	4	107.7625	0.002	4	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	108.4075	0.006	2	108.4075	0.000	2	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	105.0165	0.015	2	105.0165	0.000	2	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]AuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]AuC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	106.7735	0.063	2	106.7735	0.004	2	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	105.7090	0.000	1	105.7090	0.000	1	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	108.0070	0.000	1	108.0070	0.000	1	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PPdCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	107.9550	0.000	1	107.9550	0.000	1	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(PRhCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP)	H(CC[6a]2P)	C(C[6a]C[6a]2)2(PRhCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]2P)	108.7422	0.179	6	108.7422	0.032	6	107.5258	1.473	23	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS)	H(CC[6a]2S)	C(C[6a]C[6a]2)2(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HS){1|C<3>,2|H<1>}	H(CC[6a]2S)	105.6627	0.137	3	105.6627	0.019	3	105.6627	0.019	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	H(CC[6a]2Si)	C(C[6a]C[6a]2)2(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	H(CC[6a]2Si)	104.8487	0.593	4	104.8487	0.351	4	105.0480	0.292	10	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	H(CC[6a]2Si)	C(C[6a]C[6a]2)2(SiCCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	H(CC[6a]2Si)	105.0630	0.776	3	105.0630	0.603	3	105.0480	0.292	10	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH)	H(CC[6a]2Si)	C(C[6a]C[6a]2)2(SiC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]SiH){1|C<3>,2|H<1>}	H(CC[6a]2Si)	105.2987	0.097	3	105.2987	0.009	3	105.0480	0.292	10	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN){1|H<1>,3|C<3>}	H(CC[6a]CN)	108.0915	0.069	2	108.0915	0.005	2	108.0915	0.005	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.2990	0.000	1	107.2990	0.000	1	107.3436	0.359	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.3620	0.000	1	108.3620	0.000	1	107.3436	0.359	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.1215	0.128	2	107.1215	0.016	2	107.3436	0.359	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.8140	0.000	1	106.8140	0.000	1	107.3436	0.359	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7340	1.237	2	108.7340	1.531	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5326	0.425	8	106.5326	0.181	8	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1417	1.343	9	107.1417	1.804	9	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9873	1.362	3	107.9873	1.856	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.3920	0.000	1	110.3920	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3715	0.129	2	108.3715	0.017	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	H(CC[6a]CN)	106.1010	0.000	1	106.1010	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.8700	0.000	1	106.8700	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.1753	1.302	12	106.1753	1.695	12	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3280	0.021	2	108.3280	0.000	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1116	0.789	9	108.1116	0.622	9	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9465	0.400	2	107.9465	0.160	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.9840	0.000	1	104.9840	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5560	0.639	2	107.5560	0.409	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0753	0.412	6	107.0753	0.170	6	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1590	0.000	1	107.1590	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9240	0.563	2	106.9240	0.317	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	106.4790	0.000	1	106.4790	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4400	1.024	3	106.4400	1.048	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0790	0.000	1	107.0790	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6620	0.000	1	108.6620	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0620	0.000	1	107.0620	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	H(CC[6a]CN)	106.7350	0.000	1	106.7350	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	108.4850	0.000	1	108.0207	0.621	4	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8660	0.888	3	108.0207	0.621	4	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CN)	106.8990	0.000	1	107.1820	0.160	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4650	0.000	1	107.1820	0.160	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1200	0.991	2	108.1200	0.983	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7390	0.000	1	107.7390	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	107.4150	0.871	2	107.4150	0.759	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	H(CC[6a]CN)	109.0930	0.000	1	109.0930	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	107.8250	0.000	1	107.9552	0.427	19	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9624	0.672	18	107.9552	0.427	19	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0435	0.124	2	106.0435	0.015	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6148	2.162	5	106.6148	4.672	5	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[5,6a]Sn)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	107.0860	0.000	1	107.0860	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.7970	0.000	1	107.7970	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.7940	0.255	3	107.7940	0.065	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0896	1.000	17	108.0896	1.000	17	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6220	0.427	2	108.6220	0.182	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6000	0.000	1	106.6000	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.4530	0.270	3	105.4530	0.073	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0280	0.057	2	106.0280	0.003	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0380	0.000	1	108.0380	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6415	0.312	2	107.6415	0.097	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7545	0.102	4	108.7545	0.010	4	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.6505	0.043	2	105.6505	0.002	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5150	0.000	1	108.5150	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	106.9745	0.512	8	107.2252	0.432	45	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2794	0.678	37	107.2252	0.432	45	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0983	0.611	17	107.0983	0.374	17	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0305	0.040	2	108.0305	0.002	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6208	2.785	13	107.6208	7.754	13	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2405	0.159	2	108.2405	0.025	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7707	0.481	3	107.7707	0.231	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8959	0.900	10	107.8959	0.809	10	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7890	2.070	3	106.7890	4.286	3	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4010	0.000	1	107.4010	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8220	0.000	1	107.8220	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1557	0.370	15	107.1557	0.137	15	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5910	0.000	1	106.5910	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6515	0.322	4	106.6515	0.104	4	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1980	0.000	1	108.1980	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8621	0.705	13	106.8621	0.496	13	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6290	0.000	1	106.6290	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.6480	0.000	1	105.6480	0.000	1	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1584	0.283	5	107.1584	0.080	5	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7750	0.276	5	106.7750	0.076	5	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NScC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NScC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0356	0.819	5	108.0356	0.671	5	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.8120	0.256	2	105.8120	0.066	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5387	0.378	4	108.5387	0.143	4	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7451	0.456	36	107.7451	0.208	36	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0850	0.082	2	107.0850	0.007	2	107.3906	1.209	342	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.7210	0.000	1	107.7210	0.000	1	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.9985	0.361	2	107.9985	0.131	2	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.8988	0.537	6	107.8988	0.289	6	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.6150	0.000	1	107.6150	0.000	1	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP){1|H<1>,2|C<3>}	H(CC[6a]NP)	106.1130	0.000	1	106.1130	0.000	1	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.1250	0.000	1	108.1250	0.000	1	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.7425	0.482	8	107.7425	0.232	8	107.7452	0.331	20	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	H(CC[6a]N[3]C)	109.3080	0.000	1	109.3080	0.000	1	108.6713	0.460	8	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	H(CC[6a]N[3]C)	109.1350	0.000	1	109.1350	0.000	1	108.6713	0.460	8	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	H(CC[6a]N[3]C)	108.4878	0.692	6	108.4878	0.479	6	108.6713	0.460	8	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	107.5112	0.421	5	107.5112	0.177	5	107.4877	0.145	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	107.3700	0.000	1	107.3700	0.000	1	107.4877	0.145	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	105.6292	0.512	6	105.6292	0.262	6	106.1021	1.304	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	107.4380	0.442	3	107.4380	0.195	3	106.1021	1.304	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CN[5]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	107.0020	0.000	1	107.0020	0.000	1	106.1021	1.304	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	107.1580	0.000	1	107.1580	0.000	1	106.1021	1.304	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	104.5390	0.662	2	104.5390	0.438	2	106.1021	1.304	13	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.2520	0.000	1	107.2520	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.2458	0.160	9	105.2458	0.026	9	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.6213	0.179	4	105.3733	0.167	6	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	104.8775	0.030	2	105.3733	0.167	6	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.3635	0.071	2	106.9073	0.281	4	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.4030	0.000	1	106.9073	0.281	4	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	106.4990	0.000	1	106.9073	0.281	4	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.1360	0.000	1	106.1360	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.4780	0.007	2	105.4780	0.000	2	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.9280	0.283	2	106.9280	0.080	2	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	109.7384	6.175	7	109.7384	38.133	7	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	103.2500	0.000	1	103.2500	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.8800	0.000	1	107.8800	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.5288	1.316	46	107.5299	1.695	47	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	107.5840	0.000	1	107.5299	1.695	47	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.1040	0.000	1	107.1040	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.5154	0.579	5	106.5154	0.336	5	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]C)	106.5264	0.498	5	106.5264	0.248	5	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.4330	0.000	1	106.4330	0.000	1	107.0670	4.814	93	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP)	H(CC[6a]N[5]P)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP){1|C<3>,2|H<1>}	H(CC[6a]N[5]P)	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]C)	107.6880	0.171	4	107.6880	0.029	4	107.6352	0.026	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]CH){2|H<1>,3|C<3>}	H(CC[6a]N[5a]C)	107.5295	0.080	2	107.5295	0.006	2	107.6352	0.026	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.4140	0.000	1	107.4140	0.000	1	107.1787	0.303	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.0050	0.688	3	107.0050	0.474	3	107.1787	0.303	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.7580	0.000	1	107.7580	0.000	1	107.1787	0.303	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.8850	0.000	1	106.8850	0.000	1	107.1787	0.303	6	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH){3|C<3>,3|H<1>}	H(CC[6a]N[6]C)	106.4910	0.000	1	106.4910	0.000	1	106.4910	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	H(CC[6a]N[6]C)	106.0985	1.511	2	106.0985	2.283	2	106.5920	0.832	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[6]CH){2|H<1>,3|C<3>}	H(CC[6a]N[6]C)	106.9210	0.340	3	106.9210	0.116	3	106.5920	0.832	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.5870	0.000	1	106.5870	0.000	1	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.7840	0.000	1	106.7840	0.000	1	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.3850	1.492	2	106.3850	2.226	2	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	108.5007	0.206	3	108.5007	0.042	3	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.3530	0.000	1	107.3530	0.000	1	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.6970	0.000	1	107.6970	0.000	1	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.1809	0.976	54	107.1845	0.936	55	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]C)	107.3780	0.000	1	107.1845	0.936	55	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.6813	0.732	3	106.6813	0.536	3	107.1923	0.939	67	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]CH)	H(CC[6a]N[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]C)	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:O-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.2750	0.000	1	107.2750	0.000	1	108.1380	0.561	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:O-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5695	0.066	2	108.5695	0.004	2	108.1380	0.561	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.0775	0.723	2	106.0775	0.523	2	107.5972	2.221	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	108.6103	0.575	3	108.6103	0.331	3	107.5972	2.221	5	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.7040	0.000	1	107.7040	0.000	1	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.8290	0.000	1	107.8290	0.000	1	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.6100	0.000	1	106.6100	0.000	1	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.3390	0.092	2	108.3390	0.008	2	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.0934	0.239	5	108.0934	0.057	5	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:S-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	105.6440	0.000	1	105.6440	0.000	1	107.7211	0.725	11	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[3]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	H(CC[6a]N[3]C)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	H(CC[6a]N[3]C)	108.0473	1.296	3	108.0473	1.679	3	108.0473	1.679	3	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5,6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,6]CH)	H(CN[5,6]C[6a]C)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,6]CH){1|C<3>,2|H<1>}	H(CN[5,6]C[6a]C)	108.7610	0.813	2	108.7610	0.661	2	108.7610	0.661	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.6940	0.000	1	106.6940	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.3103	0.818	6	106.3103	0.669	6	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.9995	0.037	2	106.9995	0.001	2	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.7845	0.841	2	106.7845	0.707	2	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.4150	0.488	3	106.4150	0.239	3	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.9110	0.000	1	105.9110	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.2725	0.911	2	106.2725	0.831	2	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.2810	0.000	1	107.2810	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	108.2917	1.429	3	108.2917	2.043	3	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.5570	0.000	1	105.5570	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.8847	0.553	3	107.8847	0.306	3	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.9625	0.373	14	107.9625	0.139	14	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	104.4150	0.000	1	104.4150	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.5926	0.360	7	107.5926	0.130	7	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	108.5340	0.168	2	108.5340	0.028	2	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.9100	0.000	1	106.9100	0.000	1	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.5440	0.109	2	106.5440	0.012	2	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.3273	0.384	3	107.3273	0.148	3	107.2596	0.975	55	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP)	H(CC[6a]N[5]P)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP){1|C<3>,2|H<1>}	H(CC[6a]N[5]P)	106.4510	0.929	2	106.4510	0.863	2	106.4510	0.863	2	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.5770	0.158	2	106.5770	0.025	2	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.6636	0.685	5	106.6636	0.470	5	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.5710	0.000	1	107.5710	0.000	1	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.7190	1.933	2	107.7190	3.737	2	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	108.1400	0.000	1	108.1400	0.000	1	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.9197	0.391	3	107.9197	0.153	3	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.6740	0.000	1	107.6740	0.000	1	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.5020	0.000	1	107.5020	0.000	1	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	106.9990	0.478	4	106.9990	0.229	4	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.6257	1.376	3	107.6257	1.895	3	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.6987	0.044	4	107.6987	0.002	4	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	107.2560	0.000	1	107.2560	0.000	1	107.3386	0.638	28	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP)	H(CC[6a]N[5a]P)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP){1|C<3>,2|H<1>}	H(CC[6a]N[5a]P)	105.4000	0.000	1	105.4000	0.000	1	105.4000	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6,6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6,6]CH)	H(CN[6,6]C[6a]C)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6,6]CH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]C)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.4375	0.087	2	107.4375	0.008	2	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	105.7661	0.152	7	105.7661	0.023	7	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.2195	1.896	4	107.2195	3.594	4	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.3090	0.008	2	106.3090	0.000	2	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.7160	0.000	1	107.7160	0.000	1	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.2460	0.694	2	106.2460	0.482	2	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.4230	0.000	1	106.4230	0.000	1	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	109.6120	0.000	1	109.6120	0.000	1	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.7566	0.511	5	106.7566	0.261	5	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.1485	0.810	2	107.1485	0.656	2	106.7058	1.235	27	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]CH)	H(CC[6a]N[6a]C)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]C)	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]HP)	H(CC[6a]N[6a]P)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	C[6a](C[6a]C[6a]H)2(CN[6a]HP){1|C<3>,2|H<1>}	H(CC[6a]N[6a]P)	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	106.9427	1.371	2289	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[6]-3:N[6]-4:H-1:	C[6a]-3:C-4:N[6a]-2:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a])	H(CC[6a]C[6]N[6])	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6a](C[6a]C[6a]H)(CC[6]N[6]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[6a]C[6]N[6])	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	109.1310	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](C[6a]C[6a]Cl)(CC[6a]C[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	106.4863	0.165	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[5a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	H(CC[6a]2P[6])	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	H(CC[6a]2P[6])	106.6360	0.000	1	106.6360	0.000	1	106.6360	0.000	1	106.4863	0.165	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H)	H(CC[6a]2P[6])	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a,6a]C)(CC[6a]P[6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(CC[6a]2P[6])	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	106.4863	0.165	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[6])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](CC[5a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[6])	106.8000	0.000	1	106.8000	0.000	1	106.8000	0.000	1	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C[5])	104.8810	0.000	1	104.8810	0.000	1	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2C[5])	105.6760	0.000	1	105.3732	0.135	5	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.2975	0.377	4	105.3732	0.135	5	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	104.9850	0.000	1	104.9850	0.000	1	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]2C[5])	106.7195	0.029	2	106.7195	0.001	2	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.0030	0.000	1	106.0030	0.000	1	105.6174	0.484	10	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.2130	0.000	1	106.2130	0.000	1	106.1542	0.009	4	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.1347	0.106	3	106.1347	0.011	3	106.1542	0.009	4	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[6a]2N[6])	107.3770	0.000	1	107.3770	0.000	1	106.8229	0.147	12	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:N[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2H)(H)	C[6a](CC[6a]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2N[6])	106.7725	0.359	11	106.7725	0.129	11	106.8229	0.147	12	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	H(CC[6a]2P[6])	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2P[6])	106.6670	0.000	1	106.6670	0.000	1	105.7303	1.345	6	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(CC[6a]2P[6])	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(CC[6a]2P[6])	106.1700	0.000	1	106.1700	0.000	1	105.7303	1.345	6	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2	H(CC[6a]2P[6])	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]C)2{3|C<3>}	H(CC[6a]2P[6])	104.2600	0.000	1	104.2600	0.000	1	105.7303	1.345	6	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2	H(CC[6a]2P[6])	C(C[6a]C[6a]2)2(P[6]O[6]2O)(H)	C[6a](CC[6a]P[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2P[6])	105.7617	1.321	3	105.7617	1.744	3	105.7303	1.345	6	106.1772	0.702	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	H(CC[6a]CH)	109.0067	0.162	4	109.0067	0.026	4	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	H(CC[6a]CH)	108.2870	0.010	2	108.2870	0.000	2	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	C[6a](N[6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.2090	0.008	2	108.2090	0.000	2	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	H(CC[6a]CH)	108.5100	0.017	2	108.5100	0.000	2	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	H(CC[6a]CH)	109.0345	0.039	2	109.0345	0.002	2	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]CH)	109.0705	0.093	4	108.9278	0.108	5	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	H(CC[6a]CH)	108.3570	0.000	1	108.9278	0.108	5	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C[6a](N[6a]N[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C[6a](N[6a]N[6a])2(CCHH){1|C<3>}	H(CC[6a]CH)	109.1416	0.338	16	109.1416	0.114	16	108.9398	0.163	33	108.9398	0.163	33	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6155	0.023	2	108.6155	0.001	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.2245	0.133	4	109.2245	0.018	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.4310	0.549	2	109.4310	0.301	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,2|N<3>}	H(CC[6a]CH)	108.8730	0.023	2	108.8730	0.001	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	107.9835	0.036	2	107.9835	0.001	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.4225	0.015	2	108.4225	0.000	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|Cl<1>,2|C<3>}	H(CC[6a]CH)	108.7205	0.029	2	109.0423	0.685	7	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.3220	1.059	4	109.0423	0.685	7	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){3|C<3>}	H(CC[6a]CH)	108.5670	0.000	1	109.0423	0.685	7	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.4155	0.012	2	109.4155	0.000	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.8250	0.014	2	108.7355	0.011	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6460	0.017	2	108.7355	0.011	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9807	0.346	6	108.9807	0.120	6	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CC[6a]CH)	108.5960	0.008	2	108.5960	0.000	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7215	0.049	2	108.7215	0.002	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.2638	0.237	4	108.2638	0.056	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.1445	0.026	2	109.1445	0.001	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.0557	0.323	3	108.0557	0.104	3	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8135	0.355	4	108.8135	0.126	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7110	0.016	2	108.7110	0.000	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.1145	0.019	2	109.1145	0.000	2	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.7852	11.428	4	108.7852	130.609	4	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.7522	0.327	13	108.7522	0.107	13	108.7954	5.814	71	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.6735	0.577	4	108.6735	0.333	4	108.8261	0.152	10	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.1825	0.018	2	109.1825	0.000	2	108.8261	0.152	10	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.8005	0.071	4	108.8005	0.005	4	108.8261	0.152	10	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]CH)	108.6720	0.013	2	108.6720	0.000	2	108.4793	0.638	14	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	107.5275	0.971	4	107.5275	0.943	4	108.4793	0.638	14	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.9587	0.171	4	108.9587	0.029	4	108.4793	0.638	14	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.6365	0.033	2	108.6365	0.001	2	108.4793	0.638	14	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	O[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.0740	0.038	2	109.0740	0.001	2	108.4793	0.638	14	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	S[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.5595	0.009	2	108.5595	0.000	2	108.5595	0.000	2	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.1830	0.366	3	109.1830	0.134	3	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.2755	0.807	2	109.2755	0.651	2	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.0720	0.000	1	108.0720	0.000	1	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.3590	0.062	2	108.3590	0.004	2	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.2320	0.000	1	108.2320	0.000	1	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.4915	0.016	2	108.4915	0.000	2	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReCH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.0060	0.016	2	109.0060	0.000	2	108.7782	0.277	13	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	108.0800	0.000	1	108.0800	0.000	1	108.3410	0.410	5	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	109.0300	0.008	2	109.0300	0.000	2	108.3410	0.410	5	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	2:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	107.7825	0.021	2	107.7825	0.000	2	108.3410	0.410	5	108.7338	3.717	115	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CH)	108.7470	0.014	2	108.7470	0.000	2	108.9185	0.039	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	H(CC[6a]CH)	109.0900	0.011	2	109.0900	0.000	2	108.9185	0.039	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH){2|O<1>,3|C<3>}	H(CC[6a]CH)	107.8010	0.171	6	107.8010	0.029	6	107.8010	0.029	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.4160	0.075	2	108.4160	0.006	2	109.0690	0.325	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.1035	0.012	2	109.1035	0.000	2	109.0690	0.325	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.6875	0.022	2	109.6875	0.000	2	109.0690	0.325	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]CH)	107.9935	0.011	2	107.9935	0.000	2	108.7505	0.764	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH){1|F<1>,1|N<2>,1|O<1>,2|C<3>}	H(CC[6a]CH)	109.5075	0.021	2	109.5075	0.000	2	108.7505	0.764	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]CH)	108.2590	0.024	2	108.2590	0.001	2	108.2590	0.001	2	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	109.3640	0.331	6	109.3640	0.110	6	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]N[6a])(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.2780	0.030	2	109.2780	0.001	2	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	110.2395	2.692	4	109.5709	4.320	7	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.6793	0.034	3	109.5709	4.320	7	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	108.0745	0.012	2	108.0745	0.000	2	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.6545	0.022	2	108.6545	0.000	2	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.1688	0.095	4	109.1688	0.009	4	109.2117	1.398	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,3|N<2>}	H(CC[6a]CH)	108.3685	0.384	4	108.3685	0.148	4	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,1|N<3>,1|S<2>}	H(CC[6a]CH)	108.6496	0.067	5	108.8999	0.108	9	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	H(CC[6a]CH)	109.3975	0.023	2	108.8999	0.108	9	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]CH)	109.0280	0.021	2	108.8999	0.108	9	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7972	0.471	4	108.7310	0.143	6	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){3|C<3>}	H(CC[6a]CH)	108.5985	0.011	2	108.7310	0.143	6	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	107.9825	0.120	2	107.9825	0.014	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.2655	0.033	2	109.2655	0.001	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.7290	0.027	2	108.7290	0.001	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<2>,1|C<3>,1|N<3>}	H(CC[6a]CH)	108.4875	0.025	2	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	108.5370	0.209	4	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|N<3>}	H(CC[6a]CH)	108.6275	0.037	2	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<2>,2|S<2>}	H(CC[6a]CH)	109.0763	0.062	3	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	H(CC[6a]CH)	108.5991	0.344	17	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.8620	0.375	4	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	H(CC[6a]CH)	108.6020	0.023	2	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){3|C<3>}	H(CC[6a]CH)	108.7095	0.042	2	108.6629	0.095	36	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.3840	0.023	2	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]CH)	109.4325	0.420	4	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3998	1.869	6	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.5685	0.037	2	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	H(CC[6a]CH)	108.0410	0.035	2	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	H(CC[6a]CH)	108.7000	0.014	2	109.0842	1.353	18	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4190	0.048	2	108.4190	0.002	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6960	0.000	1	108.6960	0.000	1	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.3185	0.043	2	108.3185	0.002	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0842	0.067	4	109.0842	0.004	4	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.6810	0.057	4	108.8030	0.038	6	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0470	0.055	2	108.8030	0.038	6	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5480	0.000	1	108.5480	0.000	1	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.3925	0.018	2	107.3925	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9865	0.019	2	108.9865	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.5451	0.262	10	108.5451	0.069	10	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6295	0.293	4	108.6295	0.086	4	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8935	0.009	2	108.8935	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5728	0.142	5	108.5728	0.020	5	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7225	0.016	2	108.7225	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.1019	0.507	41	108.8654	2.779	51	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	107.8958	3.605	10	108.8654	2.779	51	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9860	0.013	2	108.9860	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5590	0.000	1	108.5590	0.000	1	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(CCHH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	109.2555	0.029	2	109.2555	0.001	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CCHH){1|N<2>,2|C<3>,2|N<3>}	H(CC[6a]CH)	109.3414	0.173	10	109.3414	0.030	10	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCHH){1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]CH)	108.7640	0.000	1	108.7640	0.000	1	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8872	0.648	8	108.7782	0.524	20	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7712	0.980	8	108.7782	0.524	20	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|O<1>,2|N<3>}	H(CC[6a]CH)	108.4890	0.014	2	108.7782	0.524	20	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|Se<2>,1|N<3>,1|O<1>}	H(CC[6a]CH)	108.6585	0.023	2	108.7782	0.524	20	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.1640	0.031	2	109.1640	0.001	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.2940	0.020	2	109.2940	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1259	0.773	116	109.1259	0.598	116	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	109.2660	0.023	2	109.2660	0.001	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2281	0.514	22	109.2281	0.264	22	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.6703	0.474	3	109.6703	0.224	3	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]CH)	108.9820	0.474	4	108.9820	0.225	4	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5195	0.760	4	109.5195	0.578	4	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4335	0.011	2	109.4335	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8770	0.007	2	108.8770	0.000	2	108.9555	0.775	368	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]CH)	108.2440	0.000	1	108.2440	0.000	1	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.1930	0.023	2	109.1930	0.001	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.7540	1.584	2	108.7540	2.509	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.7670	0.033	2	108.7670	0.001	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1780	0.016	4	109.1780	0.000	4	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.7530	0.151	5	108.7530	0.023	5	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.5973	0.028	4	108.5973	0.001	4	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.7040	0.008	2	108.7040	0.000	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]S)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]S)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.1635	0.050	2	109.1635	0.003	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]CH)	109.0355	0.026	2	109.0355	0.001	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.7800	0.016	2	108.7800	0.000	2	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]CH)	108.0752	1.356	4	108.0752	1.839	4	108.7564	0.385	32	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]CH)	108.9107	0.060	4	108.9107	0.004	4	108.9107	0.004	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[3]-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[3]HH)	H(CC[6a]C[3]H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[3]HH){1|O<1>,2|C<3>}	H(CC[6a]C[3]H)	109.3540	0.031	2	109.3540	0.001	2	109.3540	0.001	2	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6700	0.006	2	108.6700	0.000	2	108.8495	0.043	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	109.0290	0.008	2	109.0290	0.000	2	108.8495	0.043	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1852	0.404	16	109.1852	0.163	16	109.0950	0.290	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	109.5840	0.000	1	108.7102	0.733	5	109.0950	0.290	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.1950	0.025	2	108.7102	0.733	5	109.0950	0.290	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.7885	0.005	2	108.7102	0.733	5	109.0950	0.290	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	109.3360	0.055	2	109.3360	0.003	2	109.0950	0.290	23	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	H(CC[6a]C[6]H)	108.7370	0.052	2	108.7370	0.003	2	108.7370	0.003	2	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.5110	0.030	2	109.5110	0.001	2	108.7111	0.318	10	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.3887	0.424	6	108.5111	0.180	8	108.7111	0.318	10	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6]HH){1|N<3>,1|O<1>,1|S<2>}	H(CC[6a]C[6]H)	108.8785	0.009	2	108.5111	0.180	8	108.7111	0.318	10	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C[6]H)	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3770	0.157	4	109.3770	0.025	4	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5010	0.000	1	108.5010	0.000	1	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.7900	0.913	5	109.4254	1.719	23	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7982	0.246	6	109.4254	1.719	23	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	110.0038	1.531	12	109.4254	1.719	23	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8140	0.000	1	108.8140	0.000	1	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCCV)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCCV)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	111.9895	0.387	2	111.9895	0.150	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4501	0.279	36	109.3368	0.151	73	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0369	0.239	18	109.3368	0.151	73	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.9785	0.779	4	109.3368	0.151	73	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.2534	0.330	15	109.3368	0.151	73	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0430	0.000	1	109.0430	0.000	1	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.6383	0.174	3	109.6383	0.030	3	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2493	0.110	3	109.2493	0.012	3	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.7410	0.000	1	108.5848	0.009	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.5355	0.045	2	108.5848	0.009	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.5560	0.037	2	108.5848	0.009	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8880	0.340	6	108.8880	0.116	6	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9713	0.142	6	108.9713	0.020	6	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.2425	0.053	4	108.4906	0.085	18	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6242	0.102	6	108.4906	0.085	18	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.3100	0.008	2	108.4906	0.085	18	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9670	0.010	2	108.4906	0.085	18	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.3902	0.395	4	108.4906	0.085	18	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2060	0.638	19	109.2060	0.408	19	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NHgCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NHgCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	107.8405	0.706	2	107.8405	0.499	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NIrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3405	0.068	6	108.3405	0.005	6	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3000	0.000	1	108.8528	3.641	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9910	2.174	4	108.8528	3.641	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3175	0.008	2	108.3175	0.000	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5045	0.019	2	108.5045	0.000	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.5395	0.033	2	108.5395	0.001	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	114.0217	5.451	4	114.0217	29.718	4	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NReCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NReCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9622	1.567	4	108.9622	2.455	4	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9125	2.118	2	107.9125	4.485	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6062	0.344	5	108.6062	0.118	5	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.4885	0.135	2	108.1850	0.130	4	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	107.8815	0.056	2	108.1850	0.130	4	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7180	0.025	2	109.7180	0.001	2	109.1921	1.578	205	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]HN)	110.5840	0.648	2	110.1175	0.462	4	110.1175	0.462	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HN)	109.6510	0.311	2	110.1175	0.462	4	110.1175	0.462	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2Mo)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2Mo)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.1985	0.033	2	108.1985	0.001	2	108.6198	0.112	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2Ni)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8305	0.098	4	108.8305	0.010	4	108.6198	0.112	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PAuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.0195	0.144	4	108.0195	0.021	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PBCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PBCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.3672	0.763	4	108.3672	0.582	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.3110	0.040	2	108.3110	0.002	2	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	107.8835	0.045	4	107.8835	0.002	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.4605	0.391	4	108.4605	0.153	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.8255	0.547	4	108.8255	0.299	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.0507	0.123	4	109.0507	0.015	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.7388	0.485	4	109.1690	0.920	6	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0295	0.008	2	109.1690	0.920	6	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.6925	0.023	2	108.6925	0.001	2	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8850	0.038	2	108.8850	0.001	2	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.9110	0.013	2	108.9110	0.000	2	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.2392	0.542	4	108.2392	0.294	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.9944	0.259	5	108.9944	0.067	5	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCrCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.2890	0.000	1	108.2890	0.000	1	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PCuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.3377	0.075	3	109.3377	0.006	3	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PRhCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	107.6850	0.095	4	107.6850	0.009	4	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PRuCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.3905	0.005	2	108.3905	0.000	2	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PZnCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.1287	0.320	12	109.1287	0.102	12	108.6716	0.394	69	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH)	H(CC[6a]P[5]H)	C(C[6a]C[6a]N[6a])(P[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]P[5]H)	111.6308	1.344	4	111.6308	1.806	4	111.6308	1.806	4	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH)	H(CC[6a]P[6]H)	C(C[6a]C[6a]N[6a])(P[6]C[6]2Pd)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[6]HH){1|C<3>,2|H<1>}	H(CC[6a]P[6]H)	108.9430	0.383	4	108.9430	0.146	4	108.8692	0.101	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH)	H(CC[6a]P[6]H)	C(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CP[6]HH){1|C<3>,1|C<4>}	H(CC[6a]P[6]H)	108.7215	0.015	2	108.7215	0.000	2	108.8692	0.101	6	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]N[6a])(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SiH)	108.2616	0.607	5	108.4656	0.369	7	108.4656	0.369	7	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:2:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]N[6a])(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.9755	0.117	2	108.4656	0.369	7	108.4656	0.369	7	108.9918	0.969	793	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:As-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(AsO3)(H)2	C[6a](C[6a]C[6a]H)2(CAsHH)	H(CC[6a]AsH)	C(C[6a]C[6a]2)(AsO3)(H)2	C[6a](C[6a]C[6a]H)2(CAsHH){1|C<3>,2|H<1>}	H(CC[6a]AsH)	109.2710	0.457	8	109.2710	0.209	8	109.2710	0.209	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BCHN)(H)2	C[6a](C[6a]C[6a]H)2(CBHH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BCHN)(H)2	C[6a](C[6a]C[6a]H)2(CBHH){1|C<3>,2|H<1>}	H(CC[6a]BH)	109.2025	0.018	2	109.2025	0.000	2	108.4912	0.326	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CBHH)	H(CC[6a]BH)	C(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CBHH){1|C<3>,2|H<1>}	H(CC[6a]BH)	108.1355	0.193	4	108.1355	0.037	4	108.4912	0.326	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CBrCH){1|H<1>,2|C<3>}	H(CC[6a]BrC)	109.1410	0.610	2	109.1410	0.372	2	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]BrC)	108.9435	0.245	2	108.9435	0.060	2	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CBrCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]BrC)	109.3040	0.000	1	109.3040	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.4414	1.031	17	108.4414	1.064	17	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	107.4045	0.135	2	107.4045	0.018	2	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.9010	0.000	1	108.9010	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	107.8790	0.000	1	107.8790	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.0850	0.000	1	108.0850	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CBrCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]BrC)	108.8850	0.000	1	108.8850	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.0450	0.000	1	108.0450	0.000	1	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CClCH)(Br)(H)	C[6a](C[6a]C[6a]H)2(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.6067	0.040	3	108.6067	0.002	3	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(Br)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrCH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CH3)(Br)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrCH){1|C<3>,2|H<1>}	H(CC[6a]BrC)	108.3135	0.042	2	108.3135	0.002	2	108.4714	0.695	34	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:C-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	109.2880	3.671	2	109.2880	13.478	2	109.2880	13.478	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CClCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]ClC)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.1380	0.000	1	108.1380	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C[6a](C[6a]C[6a]C)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C[6a](C[6a]C[6a]C)2(CClCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]ClC)	108.7960	0.000	1	108.7960	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.6320	0.000	1	107.6320	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.9360	0.000	1	107.9360	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	109.2097	0.889	4	109.2097	0.791	4	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.9790	0.000	1	107.9790	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.3910	0.000	1	107.3910	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.6110	0.000	1	107.6110	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.6330	0.000	1	108.6330	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.0160	0.000	1	107.0160	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.2200	0.021	2	108.2200	0.000	2	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH){1|H<1>,2|C<3>}	H(CC[6a]ClC)	108.6650	0.000	1	108.6650	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	108.1340	0.008	2	108.1340	0.000	2	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CClCH){1|C<3>,2|H<1>}	H(CC[6a]ClC)	107.9480	0.000	1	107.9480	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClCH){1|H<1>,2|C<3>}	H(CC[6a]ClC)	108.5900	0.000	1	108.5900	0.000	1	108.2941	0.532	20	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	108.7750	0.000	1	108.7750	0.000	1	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	107.2860	0.000	1	107.2860	0.000	1	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCFH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	108.9257	0.039	3	108.9257	0.001	3	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CF)	109.9760	0.000	1	109.6760	0.759	8	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.6331	0.932	7	109.6760	0.759	8	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHS)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	107.9480	0.000	1	107.9480	0.000	1	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.7420	0.000	1	109.7420	0.000	1	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	107.8030	0.820	3	107.8030	0.672	3	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.1405	0.193	2	109.1405	0.037	2	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CHHN)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.0020	0.000	1	109.0020	0.000	1	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.2760	0.098	2	109.2760	0.010	2	109.0078	0.887	23	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	H(CC[6a]CH)	109.2505	0.008	2	109.2505	0.000	2	109.0680	0.046	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	H(CC[6a]CH)	108.8855	0.066	2	108.8855	0.004	2	109.0680	0.046	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH){1|Se<2>,1|C<2>,1|C<3>}	H(CC[6a]CH)	109.0367	0.083	4	109.0367	0.007	4	109.0367	0.007	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	H(CC[6a]CH)	109.1860	0.016	2	109.1860	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	109.6920	0.604	2	109.6920	0.365	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH){1|Si<4>,4|C<3>}	H(CC[6a]CH)	108.7910	0.008	2	108.7910	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|O<2>}	H(CC[6a]CH)	108.9175	0.033	2	108.9175	0.001	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH){1|C<4>,5|C<3>}	H(CC[6a]CH)	108.7285	0.026	2	108.7285	0.001	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	108.9766	0.320	10	108.9766	0.102	10	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7965	0.043	2	108.7965	0.002	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH){5|C<3>}	H(CC[6a]CH)	108.7930	0.000	1	108.7930	0.000	1	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	109.1875	0.013	2	109.1875	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(CC[6a]CH)	109.0794	0.130	9	109.0794	0.017	9	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.0085	0.039	4	109.0085	0.002	4	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.0775	0.022	2	109.0775	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]CH)	108.7885	0.522	6	108.9497	0.284	8	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,4|C<3>}	H(CC[6a]CH)	109.4335	0.025	2	108.9497	0.284	8	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|Al<5>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CH)	108.1385	0.016	2	108.3776	0.362	13	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CH)	108.3128	0.166	5	108.3776	0.362	13	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CH)	108.1585	0.912	4	108.3776	0.362	13	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(CC[6a]CH)	109.2170	0.028	2	108.3776	0.362	13	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	110.0420	0.742	2	110.2160	2.124	4	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CH)	110.3900	2.387	2	110.2160	2.124	4	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]CH)	109.5475	0.006	2	109.5475	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,3|H<1>}	H(CC[6a]CH)	109.2630	0.008	2	109.2630	0.000	2	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[6a]CH)	108.9282	0.414	4	108.9282	0.171	4	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.1202	1.289	4	109.1202	1.661	4	108.9902	0.434	77	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	H(CC[6a]CH)	109.4600	0.011	2	109.4600	0.000	2	109.3058	0.123	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.7810	0.000	1	108.7810	0.000	1	109.3058	0.123	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.5220	0.000	1	109.5220	0.000	1	109.3058	0.123	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]CH)	109.3410	0.088	2	109.3410	0.008	2	109.0978	0.086	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	H(CC[6a]CH)	108.6930	0.013	2	108.6930	0.000	2	109.0978	0.086	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	H(CC[6a]CH)	109.1522	0.234	8	109.1522	0.055	8	109.0978	0.086	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	H(CC[6a]CH)	108.6695	0.023	2	108.6695	0.001	2	109.0978	0.086	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	H(CC[6a]CH)	109.2837	0.179	4	109.2837	0.032	4	109.0978	0.086	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	H(CC[6a]CH)	108.9383	0.286	4	108.9383	0.082	4	108.9383	0.082	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]CH)	109.0750	0.010	2	109.0750	0.000	2	109.0750	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH){2|S<2>,3|C<3>}	H(CC[6a]CH)	108.8930	0.064	3	108.8930	0.004	3	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH){1|S<2>,4|C<3>}	H(CC[6a]CH)	108.5580	0.040	6	108.5580	0.002	6	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH){1|S<2>,4|C<3>}	H(CC[6a]CH)	108.8975	0.056	2	108.8975	0.003	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.5040	0.006	2	108.8508	0.101	5	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.0820	0.033	3	108.8508	0.101	5	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.9355	0.026	2	108.5277	0.222	4	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|N<3>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.1200	0.021	2	108.5277	0.222	4	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	H(CC[6a]CH)	108.3905	0.009	2	108.3905	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CH)	108.8517	0.075	6	108.8517	0.006	6	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CH)	108.4182	0.359	12	108.4182	0.129	12	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CH)	108.8300	0.004	2	108.8300	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]CH)	108.4416	0.388	14	108.3938	0.124	18	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	H(CC[6a]CH)	108.2265	0.057	4	108.3938	0.124	18	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(CC[6a]CH)	108.8377	0.039	4	108.8377	0.001	4	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){1|C<4>,1|N<2>,3|C<3>}	H(CC[6a]CH)	108.3453	0.210	4	108.3453	0.044	4	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH){1|C<2>,1|C<4>,5|C<3>}	H(CC[6a]CH)	108.9885	0.019	2	108.9885	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.8468	0.360	8	108.6579	0.179	14	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){2|C<4>,3|C<3>}	H(CC[6a]CH)	108.4060	0.389	6	108.6579	0.179	14	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CC[6a]CH)	111.4442	4.213	8	110.8746	15.245	10	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|P<3>,3|C<3>}	H(CC[6a]CH)	108.5960	0.006	2	110.8746	15.245	10	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH){1|C<4>,5|C<3>}	H(CC[6a]CH)	108.3860	0.006	2	108.3860	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	H(CC[6a]CH)	109.0303	0.388	7	109.0303	0.151	7	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.9065	0.033	2	108.9065	0.001	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	H(CC[6a]CH)	108.6925	0.016	2	108.7677	0.035	6	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.8053	0.230	4	108.7677	0.035	6	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]CH)	108.5955	0.006	2	108.5955	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	109.0645	0.019	2	109.0645	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.9630	0.030	2	108.9630	0.001	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CH)	108.1365	0.924	2	108.1365	0.854	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.1068	0.083	4	108.1068	0.007	4	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH){1|S<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.8790	0.000	1	108.8790	0.000	1	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]CH)	109.3200	0.018	2	109.3200	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.2597	0.090	3	108.2597	0.008	3	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	H(CC[6a]CH)	109.0692	0.081	6	109.0692	0.007	6	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.8610	0.028	2	108.8610	0.001	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.2510	0.000	1	109.2510	0.000	1	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	108.1130	0.144	2	108.1130	0.021	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.2670	0.013	2	109.2670	0.000	2	108.8120	1.444	142	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]CH)	108.3460	0.165	8	108.3460	0.027	8	108.5664	0.112	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]CH)	108.7869	0.320	8	108.7869	0.102	8	108.5664	0.112	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]2)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]2)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[6a]CH)	109.1658	0.257	4	109.1658	0.066	4	109.1658	0.066	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a,6a]2)(CCHH){3|C<4>,4|C<3>}	H(CC[6a]CH)	107.3260	0.024	2	107.3260	0.001	2	107.3260	0.001	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.7297	0.082	3	108.7297	0.007	3	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.3810	0.000	1	108.3810	0.000	1	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.6185	0.064	2	108.6185	0.004	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(CCHH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(CC[6a]CH)	108.6974	0.221	7	108.6974	0.049	7	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH){1|C<3>,4|C<4>}	H(CC[6a]CH)	108.2362	0.182	4	108.5067	0.106	8	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6,6a]H)(CCHH){2|C<3>,3|C<4>}	H(CC[6a]CH)	108.7773	0.136	4	108.5067	0.106	8	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCHH){1|C<3>,4|C<4>}	H(CC[6a]CH)	108.5560	0.037	2	108.5560	0.001	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	108.3715	0.029	2	108.3715	0.001	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]CH)	108.8180	0.093	3	108.8180	0.009	3	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.0350	0.059	2	109.0350	0.004	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1195	0.006	2	109.1195	0.000	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(CCHH){1|C<4>,6|C<3>}	H(CC[6a]CH)	108.8515	0.246	4	108.8515	0.060	4	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.3240	0.007	2	108.3240	0.000	2	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.3817	0.203	4	109.3817	0.041	4	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>}	H(CC[6a]CH)	108.7032	0.547	4	108.7032	0.300	4	108.7338	0.128	46	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(CC[6a]CH)	109.0637	0.177	4	109.0637	0.031	4	109.0637	0.031	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(CC[6a]CH)	109.0705	0.050	4	108.9346	0.060	8	108.9346	0.060	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[6a]CH)	108.7987	0.298	4	108.9346	0.060	8	108.9346	0.060	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.8001	0.442	12	108.8001	0.195	12	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)2(CCHH){7|C<3>}	H(CC[6a]CH)	108.7227	0.051	3	108.7227	0.003	3	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	H(CC[6a]CH)	108.5085	0.039	2	108.5085	0.002	2	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|C<2>,5|C<3>}	H(CC[6a]CH)	111.3228	2.663	6	109.8051	2.705	36	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	109.5015	1.213	30	109.8051	2.705	36	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])2(CCHH){1|N<2>,2|C<3>,2|S<2>}	H(CC[6a]CH)	108.9335	0.019	2	108.9335	0.000	2	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.9762	0.158	4	108.9762	0.025	4	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.5888	0.421	4	108.5888	0.177	4	109.3634	1.844	63	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.9420	0.031	2	108.9420	0.001	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.7237	0.036	3	108.7237	0.001	3	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.7365	0.006	2	108.8413	0.015	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.9460	0.023	2	108.8413	0.015	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.0975	0.005	2	109.0975	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.3155	0.012	2	109.3155	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	110.7032	1.480	6	109.1967	1.070	34	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.8739	0.538	28	109.1967	1.070	34	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O[6a])(CCHH){1|H<1>,5|C<3>}	H(CC[6a]CH)	110.1825	1.689	2	110.1825	2.854	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]CH)	109.1285	0.005	2	109.1285	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|N<3>,2|O<1>}	H(CC[6a]CH)	108.8055	0.011	2	108.5512	0.088	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.2970	0.072	2	108.5512	0.088	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	H(CC[6a]CH)	108.0300	0.004	2	108.0300	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(CCHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(CC[6a]CH)	109.5610	0.000	1	109.5610	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]CH)	109.0970	0.000	1	109.0970	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.4303	0.321	9	108.4303	0.103	9	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.8590	0.007	2	108.8590	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.6153	0.148	8	109.0422	0.367	32	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	108.6975	0.060	2	109.0422	0.367	32	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	108.9980	0.140	16	109.0422	0.367	32	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.8773	0.777	4	109.0422	0.367	32	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.7785	1.872	2	109.0422	0.367	32	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.1141	0.105	8	108.1834	4.409	24	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	104.0350	1.304	2	108.1834	4.409	24	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]CH)	107.8490	0.539	4	108.1834	4.409	24	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.2022	2.438	10	108.1834	4.409	24	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,6|C<3>}	H(CC[6a]CH)	108.7905	0.033	2	108.6990	0.026	3	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){2|H<1>,5|C<3>}	H(CC[6a]CH)	108.5160	0.000	1	108.6990	0.026	3	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.2840	0.042	4	108.2840	0.002	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	H(CC[6a]CH)	108.6260	0.000	1	108.6260	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.1935	0.018	2	109.0334	0.018	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.9190	0.072	4	109.0334	0.018	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.1020	0.014	2	109.0334	0.018	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.8115	0.008	2	108.8115	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.0470	0.000	1	109.0470	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.0780	0.016	2	109.0780	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]CH)	108.9485	0.032	2	108.9485	0.001	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.1410	0.052	2	109.1410	0.003	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.5410	0.013	2	109.5410	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.6680	0.055	2	109.6680	0.003	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.7115	0.087	4	108.7115	0.008	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1385	0.019	2	109.1385	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH){5|C<3>}	H(CC[6a]CH)	109.0735	0.057	2	109.0735	0.003	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.4000	0.000	1	109.4000	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.3404	0.230	8	109.3751	4.408	20	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	110.0649	2.507	12	109.3751	4.408	20	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.5965	1.628	2	108.5965	2.652	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCdOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCdOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.4135	0.019	2	108.4135	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.5361	0.216	7	109.5361	0.047	7	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	108.9930	0.000	1	108.9930	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.0182	0.680	4	108.0182	0.462	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	H(CC[6a]CH)	109.3947	0.233	7	109.3947	0.054	7	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.0040	0.000	1	109.0040	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	H(CC[6a]CH)	108.5727	0.094	4	108.5727	0.009	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	109.8266	1.782	8	109.4752	1.977	15	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	109.4643	0.110	3	109.4752	1.977	15	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7805	0.913	4	109.4752	1.977	15	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]CH)	109.0782	2.430	4	108.7193	2.678	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	108.3885	0.018	2	108.7193	2.678	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.3320	0.013	2	108.7193	2.678	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]CH)	109.0680	0.102	4	109.0680	0.010	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.8100	0.037	2	108.8100	0.001	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.4940	0.000	1	108.4940	0.000	1	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	H(CC[6a]CH)	108.6827	0.437	4	108.6827	0.191	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.1709	0.595	34	109.1709	0.354	34	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.3250	0.578	3	109.3250	0.334	3	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.9390	0.042	4	108.9390	0.002	4	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(CCHH){5|C<3>}	H(CC[6a]CH)	108.6665	0.069	2	108.6665	0.005	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.8426	0.553	8	108.8426	0.305	8	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CMnOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CMnOO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.2675	0.013	2	108.2675	0.000	2	108.9752	1.183	299	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CAlCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAlCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2095	0.012	2	109.2095	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CAlHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAlHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7933	0.054	4	108.7933	0.003	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1035	0.316	2	108.1035	0.100	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5258	0.365	13	108.5258	0.133	13	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3435	0.016	2	108.3435	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1170	0.023	2	109.1170	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5230	0.038	2	108.5230	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.0495	0.025	2	108.0495	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]BH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7210	0.000	1	108.7210	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9560	0.000	1	108.9560	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0205	0.006	2	109.0205	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.5105	0.030	2	109.5105	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1558	0.192	5	109.1558	0.037	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.5840	1.874	2	108.5843	1.305	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.0845	0.069	4	108.5843	1.305	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CC[6a]CH)	108.7495	0.023	2	108.7495	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3929	0.228	13	108.3929	0.052	13	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.0202	0.413	13	108.0202	0.171	13	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.2210	0.011	2	108.2210	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CH)	108.6239	0.229	8	108.4656	0.207	101	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.6453	0.201	32	108.4656	0.207	101	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.4505	0.172	6	108.4656	0.207	101	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3273	0.599	43	108.4656	0.207	101	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.3847	0.400	12	108.4656	0.207	101	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6413	0.151	3	108.6413	0.023	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|O<2>,3|C<3>}	H(CC[6a]CH)	109.1236	2.636	5	109.1236	6.947	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.1570	0.023	2	108.1570	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.7418	0.244	14	108.7418	0.060	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.3980	0.061	4	109.3980	0.004	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.2300	0.000	1	109.2300	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.9320	0.010	2	108.0775	0.659	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|O<2>,3|C<3>}	H(CC[6a]CH)	107.8876	0.775	9	108.0775	0.659	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9742	0.059	8	108.9742	0.003	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.6912	0.429	10	108.6192	0.260	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5712	0.567	15	108.6192	0.260	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.4780	3.114	2	108.4780	9.698	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.3235	0.019	2	109.3235	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5685	0.093	2	108.5685	0.009	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8915	0.095	2	108.8915	0.009	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.6460	0.000	1	108.7308	0.377	273	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8740	0.518	14	108.7308	0.377	273	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7187	0.627	248	108.7308	0.377	273	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.0385	0.012	2	108.7308	0.377	273	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7862	0.452	8	108.7308	0.377	273	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.5765	0.053	4	109.5765	0.003	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]CH)	108.5940	0.000	1	108.5940	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]CH)	108.6235	0.060	6	108.6235	0.004	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.1964	0.873	5	108.1964	0.763	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.0569	0.526	35	108.0569	0.277	35	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6562	1.640	57	108.6562	2.689	57	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3522	0.433	4	109.3522	0.187	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|O<2>,3|C<3>}	H(CC[6a]CH)	108.5333	0.157	6	108.5333	0.025	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7507	0.208	14	108.7507	0.043	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4783	0.470	4	108.4783	0.221	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0472	0.148	4	109.0607	0.014	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0875	0.059	2	109.0607	0.014	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a]N[6a]H)(C[6a]O[6a]O)(CCHH){1|C<3>}	H(CC[6a]CH)	109.0270	0.006	2	109.0270	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	108.7165	0.004	2	109.8388	1.686	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.9610	0.147	2	109.8388	1.686	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.4785	0.053	2	109.4785	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]CH)	108.4435	0.240	2	108.4435	0.057	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]CH)	107.6600	0.233	4	107.7329	0.559	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[4,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	107.8058	1.111	4	107.7329	0.559	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.6330	0.000	1	108.6330	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	H(CC[6a]CH)	109.0230	0.008	2	109.0230	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.7400	0.000	1	108.7400	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH){1|O<1>,2|N<3>}	H(CC[6a]CH)	108.8885	0.006	2	108.8885	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.0815	0.065	4	108.0815	0.004	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	107.3260	0.068	2	108.4740	0.578	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]CH)	108.8223	0.046	3	108.4740	0.578	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7867	0.640	4	108.4740	0.578	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]O)(CCHH){1|C<3>,1|C<4>}	H(CC[6a]CH)	109.0775	0.016	2	109.0775	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	109.0600	0.013	2	109.0600	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)(CCHH){1|N<3>,3|C<3>}	H(CC[6a]CH)	109.0220	0.000	1	109.0220	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.4640	0.759	4	108.4640	0.576	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.6016	0.589	37	108.7122	0.455	52	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9849	0.807	15	108.7122	0.455	52	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.6255	0.011	2	108.6255	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(CC[6a]CH)	108.0710	0.042	2	108.3358	0.111	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CH)	108.0330	0.016	2	108.3358	0.111	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.6735	0.023	2	108.3358	0.111	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.7635	0.009	2	108.3358	0.111	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.1380	0.059	2	108.3358	0.111	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]C)(CCHH){1|S<2>,3|C<3>}	H(CC[6a]CH)	108.8470	0.049	2	108.8470	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.7346	0.439	8	108.7346	0.193	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.6516	0.251	7	108.7096	1.450	15	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.3730	2.368	4	108.7096	1.450	15	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.1478	0.126	4	108.7096	1.450	15	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	107.8425	0.048	4	108.8568	2.118	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.7735	0.338	4	108.8568	2.118	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8470	0.038	2	108.8568	2.118	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	111.0620	3.014	2	108.8568	2.118	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.5460	0.016	2	108.5460	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.3275	0.829	2	109.3275	0.688	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.4783	0.241	6	108.4907	0.042	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.5280	0.010	2	108.4907	0.042	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]CH)	109.3615	0.015	2	109.3615	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCHH){2|C<3>}	H(CC[6a]CH)	108.8304	0.192	10	108.8304	0.037	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){5|C<3>}	H(CC[6a]CH)	109.0510	0.014	2	109.0510	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CCHH){6|C<3>}	H(CC[6a]CH)	110.2250	1.124	2	110.2250	1.264	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCHH){4|C<3>}	H(CC[6a]CH)	108.5060	0.008	2	108.5060	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	108.7940	0.016	2	108.7940	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.8025	0.012	2	108.8025	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(CCHH){3|C<3>}	H(CC[6a]CH)	108.4900	0.021	2	108.4900	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCHH){5|C<3>}	H(CC[6a]CH)	108.0025	0.021	2	108.0025	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.1000	0.013	2	109.1000	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.6000	0.021	2	108.7735	0.672	45	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7816	0.838	43	108.7735	0.672	45	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1167	0.083	3	108.6867	0.171	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCHH){3|C<3>}	H(CC[6a]CH)	108.3642	0.120	4	108.6867	0.171	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	111.0820	0.847	2	111.0820	0.718	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CC[6a]CH)	108.0560	0.048	2	108.0560	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCHH){2|C<3>}	H(CC[6a]CH)	107.9975	0.012	2	107.9975	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)2(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1850	0.064	2	108.7856	0.160	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	H(CC[6a]CH)	108.5193	0.230	3	108.7856	0.160	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.8425	0.018	2	108.8425	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7392	0.355	23	108.6820	0.914	53	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.6696	0.949	7	108.6820	0.914	53	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.6287	1.335	23	108.6820	0.914	53	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.8390	0.000	1	108.8390	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|C<2>,3|C<3>}	H(CC[6a]CH)	108.7056	0.370	16	108.6764	0.156	29	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.6405	0.436	13	108.6764	0.156	29	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CH)	107.9140	0.008	2	107.9140	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1962	0.387	5	109.3233	0.127	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5350	0.194	3	109.3233	0.127	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.4656	0.481	28	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.0887	1.809	81	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.5304	0.185	8	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.3020	0.013	2	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.8986	4.134	30	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6660	0.623	123	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.0639	0.354	18	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]CH)	109.9288	3.135	4	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	107.8265	0.280	12	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8816	0.137	5	108.7914	2.822	311	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.1975	0.883	2	108.9018	0.224	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7540	0.163	4	108.9018	0.224	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	H(CC[6a]CH)	108.9605	0.040	2	108.8027	0.032	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7237	0.167	4	108.8027	0.032	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.4084	1.426	30	108.3291	2.652	64	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	107.9678	1.899	22	108.3291	2.652	64	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4805	1.446	8	108.3291	2.652	64	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	107.4180	0.486	4	108.3291	2.652	64	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]CH)	108.9365	0.013	2	108.9365	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	107.9942	0.576	11	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.6650	0.100	4	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|O<2>}	H(CC[6a]CH)	108.3750	0.159	4	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.5070	0.037	2	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){2|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.9730	0.010	2	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]CH)	108.2338	0.060	4	108.4441	0.477	27	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]CH)	109.6800	0.023	2	109.6800	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>,3|H<1>}	H(CC[6a]CH)	109.0820	0.040	2	109.0387	0.093	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.3340	0.038	2	109.0387	0.093	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.5060	0.008	2	109.0387	0.093	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CH)	109.1582	0.156	20	109.0387	0.093	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1050	0.007	2	109.2665	0.855	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]CH)	109.8473	0.275	4	109.2665	0.855	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7575	0.037	2	108.7575	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7782	0.635	16	108.7782	0.403	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.0834	0.188	7	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.3925	0.286	4	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.5141	0.710	7	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.9145	0.520	2	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7256	0.508	17	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.5650	0.000	1	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){3|C<3>}	H(CC[6a]CH)	108.6955	0.405	4	108.9825	0.311	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8595	0.025	2	108.8595	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	110.7795	1.333	2	109.3846	1.297	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8735	0.033	2	109.3846	1.297	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1920	0.000	1	109.3846	1.297	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0970	0.047	2	109.3846	1.297	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>,1|N<3>}	H(CC[6a]CH)	108.8227	0.328	4	108.8227	0.108	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7936	0.414	18	108.7936	0.172	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.4587	0.347	4	108.4587	0.120	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<2>,1|H<1>,1|N<2>}	H(CC[6a]CH)	108.8215	0.048	4	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.5350	2.460	51	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	108.3445	0.016	2	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|F<1>,1|O<2>}	H(CC[6a]CH)	109.0337	0.252	3	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	107.9840	0.437	4	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.7127	0.258	4	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8709	0.159	13	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0531	0.654	18	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8721	0.991	886	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.9018	0.997	20	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.1500	0.143	3	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0167	0.573	3	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	108.7441	0.685	114	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7980	0.426	3	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	108.9637	0.190	6	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Cl<1>,1|C<3>}	H(CC[6a]CH)	108.1550	0.000	1	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Ga<3>,1|C<3>}	H(CC[6a]CH)	108.4847	0.175	4	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){3|C<3>}	H(CC[6a]CH)	108.4317	0.246	4	108.8858	1.124	1143	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.4218	0.655	6	108.4218	0.430	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.3475	1.061	8	108.3475	1.126	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CCHH){2|C<3>,2|N<2>}	H(CC[6a]CH)	108.4472	1.053	4	108.4472	1.109	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])(CCHH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]CH)	108.8900	0.059	2	108.8900	0.004	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|Cl<1>,1|H<1>,1|N<2>}	H(CC[6a]CH)	109.3740	0.030	2	109.3740	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	109.0450	0.000	1	109.0450	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0419	0.344	12	109.0419	0.118	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]C)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	109.0525	0.005	2	109.0525	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	109.0805	0.709	4	109.0805	0.502	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1455	0.282	4	109.1455	0.080	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0950	0.038	2	109.0950	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.7450	0.040	2	108.7450	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<2>}	H(CC[6a]CH)	108.7595	0.059	2	108.7595	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8852	0.025	4	108.8852	0.001	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHI)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1730	0.007	2	109.1730	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.6595	0.015	2	109.6595	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.1015	0.043	2	109.1015	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7665	0.169	4	108.7665	0.029	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5615	0.032	2	108.5615	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]CH)	108.4035	0.029	2	108.6652	0.042	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7960	0.031	4	108.6652	0.042	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1090	0.000	1	109.1090	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6460	0.000	1	108.6460	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.2132	0.551	6	109.2132	0.303	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0285	0.029	2	109.0285	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	109.0805	0.056	2	109.0805	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.8950	0.010	2	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	108.9425	0.144	4	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]CH)	106.3697	3.563	4	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.2375	0.013	2	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.2029	1.094	9	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]CH)	108.9172	0.788	4	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8588	0.787	1532	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.9815	0.013	2	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|N<3>}	H(CC[6a]CH)	109.0245	0.015	2	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|C<3>}	H(CC[6a]CH)	109.5350	0.088	4	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	109.2863	0.269	6	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	108.8928	0.722	5	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Cl<1>,1|C<3>}	H(CC[6a]CH)	109.1225	0.584	4	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){3|C<3>}	H(CC[6a]CH)	109.1140	0.031	2	108.8588	0.652	1582	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.6467	0.183	6	109.6467	0.033	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]CH)	108.6245	0.042	4	108.6245	0.002	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1060	0.041	2	109.1060	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.0033	0.192	7	109.0033	0.037	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH){1|Br<1>,2|C<3>}	H(CC[6a]CH)	108.4853	0.387	4	108.4240	0.128	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.3628	0.371	4	108.4240	0.128	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.2030	0.439	3	108.9567	0.290	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0470	0.201	5	108.9567	0.290	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.4093	0.164	4	108.9567	0.290	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6263	0.421	6	108.6263	0.178	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]CH)	109.4090	0.000	1	109.4090	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.1835	0.021	2	109.1835	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4578	0.175	4	108.4578	0.031	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	107.9385	0.137	4	108.4104	0.179	23	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7347	0.156	6	108.4104	0.179	23	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4995	0.401	10	108.4104	0.179	23	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.0943	0.448	3	108.4104	0.179	23	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.2485	0.026	2	108.2485	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.2406	0.221	8	108.8242	0.199	74	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.7080	0.054	2	108.8242	0.199	74	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.2605	0.015	2	108.8242	0.199	74	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7574	0.459	58	108.8242	0.199	74	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	108.7993	0.169	4	108.8242	0.199	74	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9280	0.025	2	108.9280	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	108.5560	0.066	2	108.5560	0.004	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1200	0.377	5	109.1200	0.142	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1090	0.000	1	109.1090	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.7045	0.015	2	109.2528	0.273	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8010	0.038	2	109.2528	0.273	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	107.8235	0.026	2	107.8235	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8200	0.008	2	108.8200	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.7145	0.424	11	107.7145	0.180	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCSS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCSS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9891	1.209	10	108.9891	1.461	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3630	1.024	2	108.3630	1.048	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8600	0.000	2	108.8600	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5940	0.021	2	108.5940	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9352	1.022	4	108.9352	1.044	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5115	0.009	2	108.5115	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3377	0.176	6	108.3377	0.031	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.2165	0.034	4	109.2165	0.001	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1830	0.000	1	109.1830	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1585	0.029	2	109.1585	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8765	0.648	4	108.8765	0.420	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0130	0.020	2	109.0130	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1110	0.057	2	109.1110	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9132	0.369	11	108.9132	0.136	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	107.2860	0.035	4	108.0433	0.656	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CH)	108.8005	0.027	4	108.0433	0.656	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1790	0.000	1	109.0142	0.017	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9936	0.124	8	109.0142	0.017	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1780	0.014	2	109.1780	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.2020	0.042	2	108.2020	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4158	0.106	4	108.4158	0.011	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	107.9690	0.016	2	107.7036	0.386	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.5974	0.728	5	107.7036	0.386	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0574	0.168	9	109.0574	0.028	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8185	0.035	2	108.8185	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3255	0.197	4	108.3255	0.039	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7080	0.017	2	108.7080	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.8035	0.075	4	109.0574	0.435	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7319	0.597	8	109.0574	0.435	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8675	0.016	2	109.0574	0.435	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){3|C<3>,3|H<1>}	H(CC[6a]CH)	107.7735	0.013	2	107.7735	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.3348	0.255	10	109.3348	0.065	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2115	0.019	2	109.2115	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.8035	0.059	4	109.2003	0.331	78	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2033	0.600	66	109.2003	0.331	78	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.1703	0.207	6	109.2003	0.331	78	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.9855	0.037	2	109.2003	0.331	78	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0176	0.849	19	109.0176	0.721	19	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1224	1.295	8	109.1224	1.678	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7395	0.005	2	108.7395	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4330	0.011	2	108.4330	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]RuH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]RuH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0007	0.136	4	109.0007	0.018	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]SS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]SS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.8207	0.124	7	107.8207	0.015	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.9030	0.011	2	109.9030	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8570	0.000	1	108.8570	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5750	0.000	1	108.5750	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2875	0.190	10	109.2875	0.036	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8371	0.441	8	108.8371	0.195	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9665	0.040	2	108.9665	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8725	0.309	4	108.9669	0.370	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9939	0.677	14	108.9669	0.370	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8317	0.394	52	108.8317	0.155	52	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.8735	0.572	4	108.8735	0.327	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3030	0.000	1	109.3030	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4762	0.550	6	109.4762	0.302	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7695	0.018	2	108.7695	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9305	0.016	2	108.9305	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.4727	2.772	4	110.4727	7.683	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5330	0.081	4	108.5330	0.007	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	107.6711	0.486	16	107.7703	0.292	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5640	0.007	2	107.7703	0.292	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6995	0.012	2	109.1260	0.243	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.5525	0.045	2	109.1260	0.243	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7660	0.000	2	108.7660	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]FH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]FH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.9050	0.344	2	109.9050	0.118	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.1557	0.023	3	109.1557	0.001	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.7205	0.011	2	108.7205	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.2871	0.117	8	108.9582	0.104	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8546	0.152	5	108.9582	0.104	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7598	0.112	5	108.9582	0.104	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.3980	0.038	2	108.9582	0.104	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	107.8920	0.603	6	107.8920	0.364	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]CH)	108.8215	0.013	2	108.8215	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.4595	0.746	2	110.4595	0.557	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4470	0.010	2	108.4470	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	111.5910	2.234	2	111.5910	4.993	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	110.8025	0.197	2	109.1215	0.772	110	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8490	0.041	2	109.1215	0.772	110	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]CH)	113.6930	0.226	2	109.1215	0.772	110	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9765	0.550	89	109.1215	0.772	110	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	109.1843	0.749	15	109.1215	0.772	110	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]CH)	109.3060	0.020	2	109.3060	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1485	0.059	2	109.1485	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]ThP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]ThP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3395	0.008	2	108.3395	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.2330	0.000	1	109.2330	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7743	0.537	6	108.7743	0.289	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4360	0.475	4	108.4360	0.226	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	108.3050	0.025	2	108.3050	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	107.7475	0.012	2	107.8820	0.024	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.0165	0.006	2	107.8820	0.024	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5960	0.020	2	108.5960	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4358	0.217	10	108.4471	0.039	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|C<3>}	H(CC[6a]CH)	108.5035	0.040	2	108.4471	0.039	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5286	0.201	7	108.5286	0.040	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1985	0.030	2	108.1985	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8220	0.020	2	108.8220	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1238	0.217	4	108.4466	0.547	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	107.7695	0.077	4	108.4466	0.547	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6456	0.546	41	108.6456	0.298	41	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	H(CC[6a]CH)	108.3581	0.118	7	108.3581	0.014	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.0260	0.016	2	108.0367	0.000	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>}	H(CC[6a]CH)	108.0475	0.009	2	108.0367	0.000	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	H(CC[6a]CH)	108.1875	0.204	10	108.1875	0.042	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.5005	0.033	2	108.5005	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.7275	0.009	2	108.7275	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.6280	0.000	1	108.6280	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.0980	0.006	2	108.0980	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6741	0.161	12	108.6741	0.026	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.8219	1.478	10	109.8219	2.184	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9903	0.148	4	108.9903	0.022	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0690	0.054	2	109.0690	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1520	0.219	4	109.1520	0.048	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]CH)	109.0620	0.037	2	109.4316	0.434	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]CH)	109.6856	0.692	10	109.4316	0.434	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CH)	109.5520	1.478	2	109.4316	0.434	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.1743	0.093	4	109.4316	0.434	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.9255	0.040	2	109.4316	0.434	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.9595	0.126	4	108.9595	0.016	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	109.1910	0.126	4	109.1729	0.862	45	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.9870	0.030	2	109.1729	0.862	45	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.1805	0.998	39	109.1729	0.862	45	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.1797	0.063	8	109.0989	0.060	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1552	0.116	5	109.0989	0.060	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0215	0.332	12	109.0989	0.060	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Br)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	108.8630	0.014	2	108.8630	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.2970	0.776	19	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.2232	0.705	40	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.6870	0.004	2	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	109.2422	0.155	4	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.6490	0.469	4	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.2975	0.077	4	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	109.0955	0.056	2	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]CH)	110.2067	2.564	4	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6920	0.940	192	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	107.7843	0.486	6	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6906	0.765	10	108.6801	0.908	287	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	108.8932	0.213	4	108.9272	0.030	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9950	0.007	2	108.9272	0.030	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CH)	107.1112	1.502	16	107.1112	2.255	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	H(CC[6a]CH)	109.5432	1.414	11	109.0467	1.094	34	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.5015	1.049	10	109.0467	1.094	34	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	H(CC[6a]CH)	109.6460	0.000	1	109.0467	1.094	34	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.2560	0.000	1	109.0467	1.094	34	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|Se<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.9723	0.081	11	109.0467	1.094	34	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2235	0.053	2	109.2235	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.4108	0.224	4	109.2470	0.096	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9195	0.076	2	109.2470	0.096	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.7060	0.000	1	109.3404	0.045	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2490	0.068	4	109.3404	0.045	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.5670	0.626	4	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|P<3>}	H(CC[6a]CH)	108.3663	1.332	4	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|P<4>}	H(CC[6a]CH)	108.4025	1.182	8	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.7736	0.124	7	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.0689	0.385	16	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]CH)	109.5090	0.104	4	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.6965	0.470	12	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6349	1.107	249	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0700	0.168	3	108.6683	1.086	307	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.0420	0.148	4	109.1426	0.431	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1915	0.025	2	109.1426	0.431	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2292	0.757	18	109.1426	0.431	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){3|C<3>}	H(CC[6a]CH)	108.5160	0.011	2	109.1426	0.431	26	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2422	1.036	42	109.2422	1.072	42	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	110.2778	2.986	6	110.1885	12.705	36	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.1706	3.714	30	110.1885	12.705	36	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.3728	0.799	10	108.3728	0.638	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.1367	0.112	9	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.1366	0.373	20	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.1009	0.539	45	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.5493	0.042	4	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]CH)	109.0438	0.139	4	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	109.7787	2.168	7	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.9578	0.217	35	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9798	0.397	17	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|P<3>}	H(CC[6a]CH)	109.1857	0.118	9	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]CH)	109.3346	0.341	18	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	109.0575	0.167	8	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]CH)	109.7686	1.627	7	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]CH)	110.7940	6.778	14	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0064	0.042	5	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1682	1.233	309	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.4355	0.040	2	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	111.2150	1.987	2	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1630	0.626	103	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.3120	0.055	2	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	108.7799	0.646	314	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.9140	0.040	3	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	109.2510	0.008	2	109.0629	1.490	939	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.8020	0.021	2	109.8020	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.0295	0.253	4	108.8805	0.073	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.8905	0.011	2	108.8805	0.073	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|P<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.8463	0.286	18	108.8805	0.073	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|As<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.9652	0.280	12	108.9768	0.053	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.9575	0.042	2	108.9768	0.053	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.0215	0.094	4	108.9768	0.053	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	H(CC[6a]CH)	109.4070	0.021	2	109.4070	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2115	0.054	4	109.2115	0.003	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	107.2080	0.023	2	107.2080	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	110.9590	3.347	2	110.9590	11.205	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0265	0.274	4	108.6595	0.368	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.9255	0.028	2	108.6595	0.368	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5670	0.055	2	108.5670	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9766	0.357	22	108.9766	0.127	22	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.2805	0.081	2	108.2805	0.007	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8293	0.024	4	108.8293	0.001	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.1540	0.038	2	109.0474	1.513	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4048	1.308	5	109.0474	1.513	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8415	0.013	2	108.8415	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	109.2490	0.014	2	108.7903	0.170	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6593	0.369	7	108.7903	0.170	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7050	0.000	1	108.7050	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8440	0.547	4	108.8440	0.300	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5747	0.102	3	108.5747	0.010	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]SnH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]SnH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1150	0.000	1	109.1150	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClCH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CH)	108.8105	0.040	2	108.8105	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	108.5705	0.018	2	108.5705	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CCHH){3|C<3>}	H(CC[6a]CH)	108.4590	0.010	2	108.4590	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.9370	0.014	2	109.9370	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.7740	0.017	2	109.7740	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCo2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCo2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.3550	0.000	1	108.3550	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCoHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCoHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0520	0.010	2	109.0520	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]CH)	108.7880	0.027	2	108.7880	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	114.4120	0.000	1	114.4120	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8555	0.039	2	108.8555	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3250	0.049	2	109.3250	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7300	0.010	2	109.7300	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFeCC)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFeCC)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	111.1160	0.372	2	111.1160	0.138	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFeCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFeCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3910	0.014	2	109.3910	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CGa2Si)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGa2Si)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.9215	0.028	2	107.9215	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CGeHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGeHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5300	0.308	6	108.5300	0.095	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.8568	0.663	8	108.9571	0.387	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.3585	0.012	2	108.9571	0.387	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]CH)	109.7090	0.013	2	109.7090	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	H(CC[6a]CH)	109.0398	0.153	14	109.0183	0.018	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCHH){5|C<3>}	H(CC[6a]CH)	108.9883	0.103	10	109.0183	0.018	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.5138	0.155	6	108.7671	0.123	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.1470	0.088	4	108.7671	0.123	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.0827	0.353	3	109.1218	0.066	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1805	0.050	2	109.1218	0.066	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.4570	0.017	2	109.4570	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	109.0080	0.000	1	109.0080	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	108.6520	0.027	2	108.6520	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.8928	0.337	4	108.6945	0.173	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CH)	108.6052	0.201	4	108.6945	0.173	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7169	0.483	14	108.6945	0.173	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.3195	0.040	2	108.6945	0.173	24	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[5a]C[6a])2(CCHH){1|C<3>,2|C<4>,2|N<2>,2|O<2>}	H(CC[6a]CH)	108.8586	0.099	10	108.8586	0.010	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.4049	0.467	8	108.4049	0.218	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.6508	0.753	4	109.6508	0.566	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.1920	0.006	2	108.1920	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.6769	0.227	10	108.8139	0.060	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.8653	0.077	4	108.8139	0.060	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.7365	0.022	2	108.8139	0.060	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0955	0.028	2	108.8139	0.060	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHH){3|C<3>}	H(CC[6a]CH)	109.1915	0.083	2	108.8139	0.060	20	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.2930	0.268	13	109.2672	0.057	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1905	0.006	2	109.2672	0.057	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.2489	0.233	10	109.2672	0.057	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.4830	0.017	2	109.4830	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	109.2706	0.611	16	109.2121	0.359	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.7445	0.060	2	109.2121	0.359	18	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	109.0143	0.094	4	109.0143	0.009	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.9165	0.284	4	108.3497	0.644	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	107.7330	0.045	2	108.3497	0.644	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.2212	0.058	4	108.3497	0.644	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){3|C<3>}	H(CC[6a]CH)	108.3025	1.024	11	108.3497	0.644	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	108.3500	0.025	2	108.3500	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8960	0.008	2	109.2598	0.081	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	109.4417	0.052	4	109.2598	0.081	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.1240	0.031	2	109.1240	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.0525	0.016	2	109.0525	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.6580	0.290	3	108.6580	0.084	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]O[6a]O)(CCHH){4|C<3>}	H(CC[6a]CH)	107.3370	0.181	2	107.3370	0.033	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)2(CCHH){1|C<3>,2|C<4>,4|N<2>}	H(CC[6a]CH)	108.6107	0.606	6	108.6107	0.367	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0760	0.025	2	109.0760	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]CH)	108.9875	2.570	12	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CH)	109.1705	0.071	4	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.4437	0.597	3	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9280	0.006	2	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.8113	0.460	15	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7248	1.597	4	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.9484	0.554	7	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>}	H(CC[6a]CH)	109.0310	0.000	1	108.9679	1.904	48	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.1227	0.824	543	109.1219	0.666	554	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0166	0.183	8	109.1219	0.666	554	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.3020	0.045	2	109.1219	0.666	554	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){3|C<3>}	H(CC[6a]CH)	109.1640	0.000	1	109.1219	0.666	554	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]CH)	108.3460	0.222	4	108.3460	0.049	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.3412	0.655	19	108.3412	0.429	19	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CH)	108.3562	0.218	10	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.6550	0.000	1	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.5344	0.622	496	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CH)	108.8023	0.415	8	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.0119	1.777	36	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5539	0.969	29	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<4>,2|C<3>}	H(CC[6a]CH)	108.8851	0.412	19	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Ga<3>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.9095	0.022	2	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.0920	0.468	5	108.5731	0.571	606	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.4878	0.365	6	108.5298	0.152	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5718	0.444	6	108.5298	0.152	12	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3657	0.441	23	108.3657	0.194	23	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.1030	0.035	2	108.1030	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|C<4>}	H(CC[6a]CH)	108.8040	0.754	4	108.8999	0.678	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.9304	0.967	10	108.8999	0.678	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CC[6a]CH)	108.9395	0.015	2	108.8999	0.678	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.7000	0.076	4	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.8190	0.378	6	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.6527	0.322	8	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7262	0.638	286	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]CH)	107.8748	0.217	4	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.0825	0.134	4	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|C<3>}	H(CC[6a]CH)	109.0210	0.033	2	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	110.2090	1.888	5	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|O<2>,2|C<3>}	H(CC[6a]CH)	108.5695	0.005	2	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.2072	0.639	6	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){3|C<3>}	H(CC[6a]CH)	108.9781	0.224	10	108.7409	0.451	337	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CH)	108.9247	0.095	3	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8323	0.359	4	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.5729	0.439	35	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CH)	108.5217	0.329	53	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.5940	0.000	1	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	108.3965	0.202	10	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|Si<4>,1|H<1>,3|C<3>}	H(CC[6a]CH)	108.4645	0.057	2	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	108.8822	0.559	4	108.5698	0.148	112	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9129	0.422	7	108.9129	0.178	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CH)	108.6557	0.268	3	108.6557	0.072	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	H(CC[6a]CH)	108.8812	0.249	5	108.8812	0.062	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CCHH){3|C<3>}	H(CC[6a]CH)	108.8475	0.266	4	108.8475	0.071	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CC[6a]CH)	109.0375	0.023	2	109.0375	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]S)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]S)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.4790	0.146	6	109.4790	0.021	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.9506	0.207	8	108.9506	0.043	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]CH)	108.4520	0.124	8	108.4520	0.015	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.9935	0.008	2	108.9935	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CC[6a]CH)	109.2743	0.168	3	109.2743	0.028	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){1|H<1>,6|C<3>}	H(CC[6a]CH)	109.4740	0.092	3	109.4740	0.009	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.7616	1.848	8	108.8067	1.850	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	108.8668	0.145	6	108.8067	1.850	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]CH)	109.1080	0.010	2	109.1080	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.3120	0.018	2	108.1573	0.465	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.0025	1.139	2	108.1573	0.465	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]O)2(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]CH)	108.6335	0.042	2	108.6335	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]CH)	109.2575	0.088	4	108.8508	0.402	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]CH)	108.0375	0.012	2	108.8508	0.402	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.6530	0.301	5	109.0096	0.431	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.9010	0.016	2	109.0096	0.431	7	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.0072	0.199	5	109.0072	0.040	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.5485	0.011	2	108.5485	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	108.6292	0.430	9	108.6292	0.185	9	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.6003	0.297	4	109.6003	0.088	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5074	0.531	38	108.5215	0.302	58	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5483	0.596	20	108.5215	0.302	58	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.6145	0.039	2	108.6145	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CH)	107.0325	0.009	2	107.0325	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5375	0.039	2	108.5375	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]CH)	110.9645	0.062	4	110.9645	0.004	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	108.8735	0.347	4	108.8735	0.121	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9460	0.004	2	108.9460	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]CH)	109.2560	0.025	2	109.2029	0.673	534	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.3073	1.324	71	109.2029	0.673	534	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	109.7950	0.016	2	109.2029	0.673	534	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1824	0.717	457	109.2029	0.673	534	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.5330	0.035	2	109.2029	0.673	534	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	108.4225	0.022	2	109.3008	0.527	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7400	0.326	4	109.3008	0.527	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.7845	0.033	2	108.7845	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCHH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CH)	109.6933	0.202	3	109.6933	0.041	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.9920	0.037	2	108.9920	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	109.5333	1.572	3	109.5333	2.471	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8395	0.611	6	108.8395	0.373	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]CH)	109.4290	0.006	2	109.4290	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8610	0.295	11	108.8610	0.087	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CH)	108.9745	0.018	2	108.9745	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5760	0.000	1	108.5760	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	110.1840	0.492	2	110.1840	0.242	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHH){1|C<3>,1|H<1>}	H(CC[6a]CH)	109.8725	0.578	2	109.8725	0.334	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.2878	0.166	4	108.9583	0.478	66	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	108.5400	0.332	13	108.9583	0.478	66	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.5670	0.025	2	108.9583	0.478	66	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0595	0.787	43	108.9583	0.478	66	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){2|Br<1>,1|C<3>}	H(CC[6a]CH)	109.0962	0.240	4	108.9583	0.478	66	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.8660	0.000	1	108.8660	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CH)	109.1680	0.008	2	109.1680	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8830	0.008	2	108.8830	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5521	0.200	8	109.5521	0.040	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.0340	0.020	2	109.0231	0.150	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0216	0.416	14	109.0231	0.150	16	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	109.2643	0.140	3	109.2643	0.020	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5530	0.282	4	109.5530	0.080	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|Br<1>,2|C<3>}	H(CC[6a]CH)	109.6100	0.008	2	108.8562	0.234	94	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1610	0.011	2	108.8562	0.234	94	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.4886	0.315	5	108.8562	0.234	94	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8482	0.484	83	108.8562	0.234	94	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){3|C<3>}	H(CC[6a]CH)	109.0520	0.059	2	108.8562	0.234	94	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2703	0.143	4	109.2703	0.020	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1680	0.008	2	109.1680	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	C[6a](C[6a]C[6a]F)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	C[6a](C[6a]C[6a]F)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	108.8818	0.570	5	108.8818	0.325	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9595	0.175	4	108.9595	0.030	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4500	0.006	2	109.4500	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8515	0.022	2	108.8515	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHSS)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHSS)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCHH){2|C<3>}	H(CC[6a]CH)	108.9085	0.008	2	108.9085	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHSS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHSS)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.9110	0.040	2	107.9110	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CMgNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMgNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3352	0.310	5	108.3352	0.096	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CMnOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMnOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1475	0.025	2	109.1475	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CMoHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CMoHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1580	0.068	2	109.1580	0.005	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNNY)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNNY)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3990	0.017	2	108.3990	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNOW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNOW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.0120	0.035	2	109.0120	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNPP)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.1025	0.016	2	107.1025	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNSY)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNSY)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.0385	0.149	2	108.0385	0.022	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[4]FF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[4]FF)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2900	0.000	1	109.2900	0.000	1	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7065	0.947	6	109.4767	0.587	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	H(CC[6a]CH)	109.1320	0.049	4	109.4767	0.587	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7690	0.017	2	108.7690	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7400	0.024	2	108.9745	0.113	46	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9852	0.340	44	108.9745	0.113	46	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.8235	0.011	2	108.8235	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.3250	0.023	2	109.3250	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1625	0.019	2	109.0146	0.084	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9653	0.325	6	109.0146	0.084	8	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	109.1725	0.377	6	109.1725	0.142	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]CH)	108.6985	0.040	2	108.7503	0.009	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]CH)	108.8540	0.000	1	108.7503	0.009	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CH)	109.0810	0.040	3	109.0810	0.002	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3380	0.017	2	109.3380	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.1723	0.185	22	109.2237	0.251	88	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2408	0.569	66	109.2237	0.251	88	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C[6a](C[6a]C[6a]Cl)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2662	0.032	4	109.2662	0.001	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3347	0.969	25	109.3347	0.939	25	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	111.4485	3.630	4	110.6520	13.055	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.4660	0.000	1	110.6520	13.055	5	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.7752	0.126	4	109.2033	0.146	68	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.3092	0.212	4	109.2033	0.146	68	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1486	0.373	58	109.2033	0.146	68	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	109.4335	0.013	2	109.2033	0.146	68	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]CH)	108.0930	0.011	2	108.0930	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7756	1.547	14	109.7756	2.393	14	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.1480	0.040	2	108.1480	0.002	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.9400	0.023	2	109.1325	0.038	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1806	0.188	8	109.1325	0.038	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]CH)	108.2365	0.281	2	108.2365	0.079	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	109.2513	0.061	3	109.3631	0.247	95	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.6800	0.452	6	109.3631	0.247	95	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	111.0260	0.878	2	109.3631	0.247	95	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2866	0.431	78	109.3631	0.247	95	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	109.5413	0.262	6	109.3631	0.247	95	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|C<4>}	H(CC[6a]CH)	108.7270	0.498	6	108.7270	0.248	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8433	0.046	3	108.8433	0.002	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.6545	0.042	2	109.3712	0.169	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1644	0.374	7	109.3712	0.169	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|N<2>,2|H<1>}	H(CC[6a]CH)	109.8115	0.032	2	109.3712	0.169	11	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	106.8427	0.892	4	106.8427	0.795	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.5030	1.835	3	107.5030	3.367	3	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNiOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.5785	0.032	2	109.5785	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COWW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COWW)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3280	0.035	2	109.3280	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COsHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COsHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9843	0.109	4	108.9843	0.012	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(COsHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(COsHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.4370	0.154	4	108.4370	0.024	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPdCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPdCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7717	0.070	4	108.7717	0.005	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.7050	0.171	4	108.7050	0.029	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	109.6902	0.110	19	109.6921	0.011	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtCH)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.7105	0.046	2	109.6921	0.011	21	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4590	3.978	2	108.4590	15.826	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CPtHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3785	0.030	2	108.3785	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	107.8060	0.018	2	107.8060	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRhCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.5825	0.025	2	109.5825	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRhHH)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhHH)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(CCHH){1|C<3>,2|F<1>}	H(CC[6a]CH)	109.4645	0.012	2	109.4645	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRhHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRhHO)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]CH)	109.5950	0.037	2	109.5950	0.001	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CH)	109.4880	0.000	1	108.4166	2.059	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.5385	0.036	2	108.4166	2.059	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CH)	106.6580	3.130	2	108.4166	2.059	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]CH)	108.8570	0.315	5	108.4166	2.059	10	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CRuOO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8648	1.035	4	108.8648	1.071	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7905	0.018	2	108.7905	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiCH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.3900	0.058	2	108.3900	0.003	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CH)	108.9015	0.323	2	108.9015	0.104	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiHH)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiHH)(H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2637	0.100	6	109.2637	0.010	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSmOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSmOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.2175	0.420	4	108.6489	0.209	15	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSmOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSmOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.8057	0.371	11	108.6489	0.209	15	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTeHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTeHH)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.4305	0.392	6	109.4305	0.154	6	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTiNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiNN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3475	0.008	2	109.3475	0.000	2	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTiNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiNO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CC[6a]CH)	110.4977	1.743	4	110.4977	3.037	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTiOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiOO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.5563	1.227	4	109.5563	1.505	4	108.8777	0.907	10697	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.6030	0.010	2	108.6030	0.000	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]CH)	106.7800	2.019	2	106.7800	4.078	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	109.0170	0.000	1	109.0170	0.000	1	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	108.7325	0.022	2	108.7325	0.000	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	108.6465	0.581	4	108.6465	0.338	4	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]CH)	109.1290	0.187	3	109.1290	0.035	3	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]CH)	110.4150	2.457	4	109.4928	3.093	9	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|N<3>,2|O<1>}	H(CC[6a]CH)	108.3665	0.022	2	109.4928	3.093	9	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.0140	0.061	3	109.4928	3.093	9	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]CH)	109.1131	0.077	7	109.1131	0.006	7	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.0530	0.018	2	109.0530	0.000	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]CH)	108.5485	0.085	11	108.5485	0.007	11	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	108.4795	0.022	2	108.4795	0.000	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]CH)	109.4735	0.006	2	109.4735	0.000	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.3783	0.338	3	109.3783	0.114	3	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	107.9785	0.032	2	107.9785	0.001	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]CH)	109.2595	0.046	2	109.2595	0.002	2	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]CH)	109.0587	0.333	17	109.0587	0.111	17	108.9169	0.723	71	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]CH)	108.5995	0.032	2	108.5995	0.001	2	108.8718	0.057	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CH)	109.0080	0.143	4	109.0080	0.021	4	108.8718	0.057	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	H(CC[6a]CH)	108.4165	0.040	2	108.4165	0.002	2	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	H(CC[6a]CH)	109.0255	0.029	2	109.0255	0.001	2	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH){4|C<3>}	H(CC[6a]CH)	108.8155	0.100	4	108.8155	0.010	4	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){2|C<3>,2|N<2>}	H(CC[6a]CH)	108.8335	0.012	2	108.5445	0.054	6	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	108.4000	0.075	4	108.5445	0.054	6	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	H(CC[6a]CH)	109.0045	0.028	2	109.0045	0.001	2	108.7139	0.070	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	108.8740	0.081	4	108.8740	0.007	4	108.8740	0.007	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|O<1>,4|C<3>}	H(CC[6a]CH)	108.7555	0.029	2	108.7555	0.001	2	108.3732	0.542	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]CH)	107.8290	0.215	2	107.8290	0.046	2	108.3732	0.542	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(CC[6a]CH)	107.9497	0.179	4	107.9497	0.032	4	108.3732	0.542	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	H(CC[6a]CH)	109.2190	0.044	2	109.2190	0.002	2	108.3732	0.542	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]CH)	108.5365	1.654	2	108.5365	2.735	2	108.3732	0.542	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1650	0.558	4	108.1650	0.311	4	107.2637	10.413	17	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.6402	0.976	6	107.6402	0.954	6	107.2637	10.413	17	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3700	0.000	1	108.3700	0.000	1	107.2637	10.413	17	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	104.1956	5.878	4	104.1956	34.549	4	107.2637	10.413	17	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(H)(O)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.9150	0.471	2	109.9150	0.222	2	107.2637	10.413	17	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH)	H(CC[6a]C[3]H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	108.7831	0.370	28	108.7831	0.137	28	108.7831	0.137	28	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	108.6680	0.000	1	108.6680	0.000	1	108.3281	0.054	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]HH)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	108.0225	0.052	2	108.0225	0.003	2	108.3281	0.054	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[4]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[6a]C[6a]2)(C[4]C[4]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	108.3960	0.033	4	108.3960	0.001	4	108.3281	0.054	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH)	H(CC[6a]C[5]Br)	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Br)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	H(CC[6a]C[5]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Cl)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]C[5]H)	108.9405	0.155	4	108.9405	0.024	4	108.9139	0.172	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]C[5]H)	108.8872	0.613	4	108.8872	0.376	4	108.9139	0.172	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CC[5]HH){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]C[5]H)	109.0905	0.005	2	109.0905	0.000	2	109.0905	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	110.1115	0.187	2	110.1115	0.035	2	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[5]HH){1|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.5625	0.045	2	108.5625	0.002	2	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[5]H)	108.0353	0.041	4	108.0353	0.002	4	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[5]H)	108.3590	0.010	2	108.3590	0.000	2	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	109.3100	0.035	2	109.3100	0.001	2	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Sm)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Sm)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.4183	0.318	4	108.4183	0.101	4	108.6562	0.493	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.4770	0.006	2	108.4770	0.000	2	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6422	0.029	4	108.6422	0.001	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	109.1210	0.000	1	108.7070	1.392	112	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.2560	0.039	4	108.7070	1.392	112	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7200	1.204	107	108.7070	1.392	112	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[5]H)	109.9280	1.804	8	109.9280	3.255	8	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5]H)	109.9857	0.018	4	109.4894	1.409	10	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1950	1.917	4	109.4894	1.409	10	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){2|Cl<1>,1|C<3>}	H(CC[6a]C[5]H)	109.0855	0.023	2	109.4894	1.409	10	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[5]H)	108.2520	0.028	2	108.2520	0.001	2	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7772	0.386	4	108.7772	0.149	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8342	0.339	4	109.0164	0.591	72	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0271	0.787	68	109.0164	0.591	72	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]O)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]O)2(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5222	0.607	4	108.5222	0.368	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5851	1.234	16	108.5851	1.523	16	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4700	0.031	2	108.4700	0.001	2	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4764	0.158	8	108.4764	0.025	8	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.2345	0.021	2	108.2345	0.000	2	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.5503	0.601	6	109.5503	0.361	6	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2W)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7814	0.621	10	108.7814	0.386	10	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.1300	0.193	5	108.1300	0.037	5	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3490	0.343	6	108.3490	0.118	6	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1380	0.183	4	109.1380	0.034	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|O<2>,2|C<3>}	H(CC[6a]C[5]H)	108.8053	0.110	4	108.8053	0.012	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[5]HH){1|O<2>,2|C<3>}	H(CC[6a]C[5]H)	109.4742	1.333	4	109.4742	1.777	4	108.8422	1.055	285	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.1810	0.000	1	108.1810	0.000	1	108.8057	0.293	3	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[6]H)	109.1180	0.037	2	109.1180	0.001	2	108.8057	0.293	3	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH){1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]C[6]H)	107.3110	0.040	3	107.3110	0.002	3	107.3428	0.190	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]C[6]H)	106.9790	0.018	2	106.9790	0.000	2	107.3428	0.190	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]C[6]H)	108.1660	0.000	1	108.1660	0.000	1	107.3428	0.190	6	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[6]HH){1|Cl<1>,1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	107.9845	0.016	2	107.9845	0.000	2	107.9845	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[6]H)	108.3650	0.000	1	108.3650	0.000	1	108.7234	0.101	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]C[6]H)	108.6360	0.007	2	108.6360	0.000	2	108.7234	0.101	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.5180	0.000	1	108.5180	0.000	1	108.7234	0.101	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HH){2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	108.7700	0.010	2	108.7700	0.000	2	108.7234	0.101	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[6]H)	109.3690	0.000	1	109.3690	0.000	1	108.7234	0.101	7	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1980	0.031	2	108.1980	0.001	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(CC[6a]C[6]H)	107.7980	0.016	2	107.7980	0.000	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.2755	0.039	2	108.6288	0.435	89	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6139	0.660	87	108.6288	0.435	89	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.4620	0.000	1	108.4620	0.000	1	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6]HH){2|C<3>}	H(CC[6a]C[6]H)	108.5375	0.046	2	108.5375	0.002	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.1825	0.030	2	108.4186	0.093	8	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.4973	0.317	6	108.4186	0.093	8	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(CC[6a]C[6]H)	108.2733	0.027	4	108.2733	0.001	4	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(CC[6a]C[6]H)	108.4915	0.052	2	108.4915	0.003	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	109.1183	2.524	4	108.9160	3.922	6	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.5115	0.030	2	108.9160	3.922	6	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	107.7820	0.044	2	107.7820	0.002	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[6]H)	109.3065	0.009	2	109.1115	2.922	106	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.7780	0.006	2	109.1115	2.922	106	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.1425	1.771	98	109.1115	2.922	106	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	H(CC[6a]C[6]H)	108.4202	0.228	4	109.1115	2.922	106	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]O)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	107.4015	0.028	2	107.4015	0.001	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.0965	0.072	4	108.0965	0.005	4	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6840	0.311	22	108.6840	0.097	22	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.4415	0.028	2	108.4415	0.001	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.0200	0.078	2	108.5813	0.059	12	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.4936	0.141	10	108.5813	0.059	12	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.5185	0.643	2	109.5185	0.413	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1937	0.546	6	108.1937	0.298	6	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8595	3.750	2	108.8595	14.061	2	108.7747	1.508	276	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){1|N<3>,2|O<1>}	H(CC[6a]C[6]H)	108.5305	0.019	2	108.5305	0.000	2	108.5305	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]HN)	108.6300	0.023	2	108.6300	0.001	2	108.6300	0.001	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	H(CC[6a]HN)	109.4258	0.138	5	109.4258	0.019	5	109.0263	0.476	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	109.2603	0.164	3	109.2603	0.027	3	109.0263	0.476	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	108.3512	0.879	4	108.3512	0.773	4	109.0263	0.476	12	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NAgCC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NAgCC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN){1|Ag<5>,2|H<1>,3|C<3>}	H(CC[6a]HN)	109.5280	0.055	2	109.5280	0.003	2	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCdCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCdCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN){1|Cd<5>,1|H<1>,3|C<3>}	H(CC[6a]HN)	108.7387	0.097	4	108.7387	0.009	4	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NCuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NCuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN){1|Cu<5>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]HN)	108.7475	0.039	2	108.7475	0.002	2	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	H(CC[6a]HN)	103.2323	11.467	2	103.2323	131.502	2	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NNiCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NNiCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN){1|Ni<6>,1|H<1>,3|C<3>}	H(CC[6a]HN)	108.3225	0.009	2	108.3225	0.000	2	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(NZnCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6,6a]C[6a])(NZnCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHN){1|Zn<5>,1|O<2>,3|C<3>}	H(CC[6a]HN)	108.6267	0.053	6	108.6267	0.003	6	108.1320	11.014	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6,6a])(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN){1|Ag<5>,2|H<1>,5|C<3>}	H(CC[6a]HN)	109.3235	0.005	2	109.3235	0.000	2	109.3235	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.5820	0.021	2	108.5820	0.000	2	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	107.9243	0.460	4	107.9243	0.211	4	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.6009	0.362	26	108.6009	0.131	26	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	109.1419	0.282	28	109.1419	0.080	28	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCdCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCdCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.4343	0.204	4	108.4343	0.042	4	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NCuCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NCuCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.4160	0.045	2	108.4160	0.002	2	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NPtCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NPtCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.5655	0.049	2	108.5655	0.002	2	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NPtCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NPtCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.8535	0.483	4	108.8535	0.234	4	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(NRuCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]2)(NRuCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHN){2|H<1>,5|C<3>}	H(CC[6a]HN)	108.1380	0.058	3	108.1380	0.003	3	108.7465	0.222	75	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NAgCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.7430	0.021	2	108.7430	0.000	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|B<4>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.3280	0.510	4	109.3280	0.260	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	109.3037	0.081	3	109.3037	0.007	3	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.4042	0.258	4	109.4042	0.067	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CHHN){1|H<1>,3|C<3>}	H(CC[6a]HN)	109.2265	0.136	4	109.2265	0.019	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]ZnC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6]ZnC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	107.6305	0.515	2	107.6305	0.266	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	110.1963	1.249	3	110.1963	1.561	3	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]IrH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]IrH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5675	0.067	2	108.5675	0.005	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]MoH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Mo)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]MoH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Mo)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	107.7275	0.025	2	107.7275	0.001	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCoCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCoCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.9613	0.197	3	108.9613	0.039	3	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCuCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCuCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5190	0.299	4	108.5190	0.090	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCuCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NCuCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.7467	0.121	4	108.7467	0.015	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.7040	0.061	2	108.7040	0.004	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8430	1.253	37	108.8430	1.571	37	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NIrCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.8840	0.059	2	109.8840	0.004	2	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NPdCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.9526	0.012	5	108.9526	0.000	5	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NReCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a,6a]C[6a])(NReCC)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	107.8150	0.183	4	107.8150	0.033	4	108.8737	0.964	87	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.2873	0.055	7	108.8150	0.118	39	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9305	0.260	32	108.8150	0.118	39	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAgCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAgCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2925	0.092	6	109.2925	0.009	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAl3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAl3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4873	0.119	8	108.4873	0.014	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.7915	0.070	2	110.3621	1.590	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	111.2215	1.788	4	110.3621	1.590	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.0751	0.986	8	110.3621	1.590	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	108.9873	0.180	3	108.8902	0.093	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8859	0.313	73	108.8902	0.093	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.8955	0.239	4	108.8902	0.093	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3909	0.955	21	108.3909	0.912	21	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8895	0.013	2	108.8895	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7599	1.557	8	109.7599	2.424	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlCrC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlCrC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4390	0.055	2	109.4390	0.003	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3438	0.136	4	109.3438	0.019	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlSiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NAlSiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3560	0.016	2	108.3560	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8940	0.030	2	107.8940	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8946	0.501	7	108.8946	0.251	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8338	1.330	12	109.8338	1.768	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5100	0.178	5	109.5100	0.032	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4945	0.506	43	109.3039	0.266	117	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1931	0.491	74	109.3039	0.266	117	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NBiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6170	0.176	7	108.6170	0.031	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN){1|H<1>,6|C<3>}	H(CC[6a]HN)	108.4255	0.025	2	108.4255	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN){1|H<1>,6|C<3>}	H(CC[6a]HN)	108.8950	0.342	4	108.8950	0.117	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	109.0314	0.623	12	109.0314	0.388	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.4110	0.069	2	108.4110	0.005	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.1513	0.157	4	108.1513	0.025	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5513	0.085	3	108.5513	0.007	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6373	0.055	3	108.6373	0.003	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.5972	0.147	13	108.5972	0.022	13	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.9985	2.938	2	109.9985	8.632	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.3483	0.099	4	108.3483	0.010	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8200	0.004	2	108.8200	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.4363	0.073	11	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	108.6210	0.075	2	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.3845	0.008	2	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6322	0.946	228	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	108.4840	0.013	2	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.3911	0.209	7	108.6137	0.815	252	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>,3|O<2>}	H(CC[6a]HN)	109.6065	0.029	2	109.6065	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<3>}	H(CC[6a]HN)	109.3040	0.077	4	109.3040	0.006	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.7295	0.084	2	108.7295	0.007	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0445	0.046	2	109.0445	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0700	0.044	2	109.0700	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9410	0.054	2	108.9455	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.9500	0.016	2	108.9455	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Cl)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9370	0.023	2	108.9370	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.8515	0.008	2	108.8515	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.8221	0.414	7	108.8221	0.172	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0037	0.237	18	109.0037	0.056	18	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	H(CC[6a]HN)	109.5475	0.019	2	109.3498	0.599	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.9690	0.161	3	109.3498	0.599	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1575	0.318	42	109.3498	0.599	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5994	1.259	8	109.3498	0.599	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	111.0560	1.321	4	109.3498	0.599	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9840	0.011	2	108.9840	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.0003	0.047	3	109.0133	0.613	174	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0135	0.790	171	109.0133	0.613	174	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7935	0.023	2	108.7935	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1360	0.533	8	109.1031	0.226	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCH)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9715	0.059	2	109.1031	0.226	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCO)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCO)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4535	0.124	2	108.4535	0.015	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3367	0.269	9	108.3546	0.068	35	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.4212	0.267	20	108.3546	0.068	35	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2790	0.061	2	108.3546	0.068	35	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.0998	0.024	4	108.3546	0.068	35	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCV)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9818	0.088	4	107.9818	0.008	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCW)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCW)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.6577	0.138	4	108.6577	0.019	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3460	0.007	2	108.3460	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8113	0.079	4	109.0585	0.132	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.3058	0.373	4	109.0585	0.132	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|N<2>}	H(CC[6a]HN)	109.2595	0.042	2	109.2595	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3323	0.214	4	109.3323	0.046	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1862	0.335	10	109.1862	0.112	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	110.3061	1.632	42	110.3061	2.663	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1085	0.045	2	109.1085	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	111.5426	5.376	7	111.5426	28.902	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2410	0.176	12	109.2410	0.031	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.4753	0.129	3	109.2357	0.399	61	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2233	0.645	58	109.2357	0.399	61	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8560	1.096	2	109.8560	1.201	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3880	0.051	2	109.3880	0.003	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.4658	0.155	6	109.4658	0.024	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.9510	0.072	2	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4851	1.117	75	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	108.9683	0.129	3	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]HN)	110.6734	2.206	10	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.1210	0.185	4	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.2375	0.265	60	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1455	0.407	18	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4701	1.161	403	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	109.3137	0.407	8	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.8895	0.472	4	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	109.1994	0.196	5	109.4473	1.202	592	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CHHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HN)	109.0015	0.115	4	109.0015	0.013	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.5504	0.326	8	109.5504	0.106	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCHH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1725	0.040	2	109.1725	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCOY)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCOY)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1677	0.648	3	108.1677	0.420	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.8250	0.041	2	109.8250	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0959	0.218	11	109.0959	0.047	11	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1422	0.872	5	109.1422	0.761	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8588	0.949	12	109.8588	0.900	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2063	0.038	3	109.2063	0.001	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]OsH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]OsH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4925	0.047	2	108.4925	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]RuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[5]RuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7355	0.064	2	108.7355	0.004	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]Al2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]Al2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6580	0.173	7	108.6580	0.030	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.4620	0.042	2	109.2578	0.057	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0535	0.054	2	109.2578	0.057	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]AlH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]AlH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.3846	0.235	26	109.3846	0.055	26	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	108.5435	0.046	2	108.5435	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9049	0.500	10	108.9049	0.250	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.0757	0.100	4	108.0757	0.010	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6942	0.420	17	108.6942	0.177	17	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	107.8515	0.574	8	107.8515	0.330	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.0520	0.011	2	109.0520	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]CuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8514	1.956	18	108.8514	3.827	18	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]FeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]FeC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8519	0.574	8	107.8519	0.329	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2215	0.507	4	108.2215	0.257	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	111.8425	0.955	4	111.8425	0.913	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.1860	0.010	2	109.1860	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6965	0.652	12	109.5811	0.446	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	108.8890	0.025	2	109.5811	0.446	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]HH)(H)2	C[6a](C[6a]C[6a]O)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1980	0.151	7	109.1980	0.023	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]MnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]MnC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9035	0.850	4	107.9035	0.723	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]MoH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]MoH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3595	0.067	2	108.3595	0.005	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]NiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]NiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8683	0.431	4	107.8683	0.186	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0160	0.010	2	109.0160	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]NiH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4668	0.417	13	109.4668	0.174	13	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8003	0.280	4	108.8003	0.078	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]PdH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]PdH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5507	0.562	8	108.5507	0.316	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]RhH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]RhH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.8370	0.020	2	108.8370	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4580	0.105	2	109.4580	0.011	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]RuH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6575	0.008	2	108.6575	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]SbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]SbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3350	0.236	15	109.3350	0.056	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.8085	0.430	8	108.8085	0.185	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.7838	0.180	6	108.7593	0.028	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.7468	0.184	20	108.7593	0.028	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7848	0.033	4	108.7593	0.028	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.7438	0.301	5	108.8333	0.103	13	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6]ZnH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.8893	0.339	8	108.8333	0.103	13	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Al2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Al2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8465	0.028	2	107.8465	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]AlC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.3610	0.236	4	109.3610	0.055	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4390	0.076	2	109.4390	0.006	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]AlH)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HN)	108.8370	0.000	1	108.8370	0.000	1	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.1917	2.310	20	110.1917	5.338	20	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.2952	0.471	4	109.0412	0.316	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.6783	0.130	3	109.0412	0.316	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	108.6702	0.437	4	109.0412	0.316	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.6803	0.451	4	109.0412	0.316	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]CrH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]CrH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.9905	0.029	2	108.9905	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.2903	0.364	4	108.8205	0.219	11	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]FeC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1234	0.062	7	108.8205	0.219	11	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]FeH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	110.4685	1.618	4	110.4685	2.619	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.3347	0.278	23	109.3347	0.077	23	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.3176	0.205	8	109.3176	0.042	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5795	0.011	2	108.5795	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3490	0.142	4	109.3490	0.020	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8245	0.040	6	108.9768	0.089	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2053	0.384	4	108.9768	0.089	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]Li2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]Li2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5952	0.915	4	108.5952	0.837	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2330	0.201	3	109.2330	0.040	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]NiH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.9060	0.055	4	109.9060	0.003	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]PdC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]PdC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	H(CC[6a]HN)	108.1580	1.001	4	108.1580	1.003	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1465	0.009	2	109.1465	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]ReH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2630	0.014	2	109.2630	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]SbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]SbC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4156	0.321	10	109.4156	0.103	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCa2H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCa2H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7050	0.020	2	108.7050	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCaCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCaCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	110.4958	2.165	4	110.4958	4.686	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4922	0.324	4	108.5499	0.069	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.6075	0.215	4	108.5499	0.069	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2683	0.270	15	108.2683	0.073	15	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	107.9230	0.000	1	107.9877	0.237	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.0200	0.684	2	107.9877	0.237	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3200	0.098	6	108.3200	0.010	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.7843	0.025	4	109.7843	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	H(CC[6a]HN)	109.3640	0.006	2	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8720	0.226	16	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8799	0.481	75	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6090	0.000	1	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.5964	0.134	8	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.6558	0.080	4	108.9309	0.216	106	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.0246	0.145	8	108.1930	0.078	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5297	0.101	4	108.1930	0.078	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2689	0.216	16	108.2144	0.066	18	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	107.7785	0.043	2	108.2144	0.066	18	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4301	0.361	18	108.4301	0.130	18	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.8296	0.090	8	109.8296	0.008	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	110.5070	1.190	4	109.4899	1.663	43	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1932	0.190	11	109.4899	1.663	43	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7425	1.099	14	109.4899	1.663	43	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|I<1>}	H(CC[6a]HN)	111.6785	2.152	2	109.4899	1.663	43	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	109.9300	1.350	12	109.4899	1.663	43	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8777	0.068	3	108.8777	0.005	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.2320	0.253	3	109.6165	0.042	22	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.6772	0.115	19	109.6165	0.042	22	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCoHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7992	0.302	6	108.7992	0.091	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7327	0.299	3	108.7327	0.090	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]Cr)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7110	0.153	8	109.7110	0.023	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	108.5323	0.184	7	108.5540	0.324	24	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.5630	0.673	17	108.5540	0.324	24	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1968	0.423	6	108.1968	0.179	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCrCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4830	0.033	2	109.4830	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	107.8317	0.097	4	108.0900	0.166	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6065	0.011	2	108.0900	0.166	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3473	0.279	4	108.3473	0.078	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8215	0.390	4	108.8215	0.152	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	H(CC[6a]HN)	110.5065	0.306	4	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HN)	109.0300	1.532	8	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6782	0.189	8	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	109.0053	0.055	4	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<4>}	H(CC[6a]HN)	108.4835	0.005	2	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.3465	0.029	2	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.6327	0.367	24	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0983	1.673	14	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	108.7360	0.695	3	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.9810	0.056	7	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.1358	0.395	4	108.9194	0.916	80	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.4528	0.459	16	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.3810	0.161	4	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.3362	0.239	5	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.7585	0.071	4	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4236	0.429	122	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	108.0405	0.012	2	108.4526	0.198	153	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	110.3302	0.195	13	110.3302	0.038	13	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6485	0.169	10	108.6485	0.028	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.2460	0.069	2	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9965	0.097	4	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.4110	0.037	3	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	110.1552	1.761	4	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.4765	0.015	2	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3073	0.743	24	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9280	0.036	3	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	109.0883	0.130	4	109.3217	0.579	46	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9413	0.295	3	108.9413	0.087	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.1406	0.297	18	109.0767	0.328	63	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0512	0.653	45	109.0767	0.328	63	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuLiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NCuLiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.8013	0.426	10	107.8013	0.181	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.3230	0.000	1	108.3230	0.000	1	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.1275	0.011	2	108.6830	0.463	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2385	0.394	2	108.6830	0.463	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8865	0.035	2	109.8865	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HN)	108.7810	0.089	4	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.8783	0.329	23	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.7127	0.014	3	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8650	0.352	102	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7969	0.336	42	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.1190	0.367	4	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.5812	0.258	4	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	108.5685	0.262	4	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.8790	0.105	9	108.8418	0.111	195	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9204	0.576	11	107.9204	0.332	11	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.5298	0.223	8	108.3087	0.083	88	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2997	0.256	69	108.3087	0.083	88	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	108.2042	0.439	11	108.3087	0.083	88	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHN){3|C<3>}	H(CC[6a]HN)	109.1279	0.283	10	109.1279	0.080	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.1560	0.000	1	109.1560	0.000	1	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.6881	0.512	7	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	111.7913	3.895	4	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.2215	0.022	2	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9054	1.576	30	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|I<1>}	H(CC[6a]HN)	109.5685	0.299	6	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	109.2210	0.014	2	109.1655	3.071	51	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1221	0.482	8	109.1221	0.232	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9032	0.104	4	108.9032	0.011	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NFeHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NFeHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6432	0.520	4	108.6432	0.270	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1130	0.024	2	109.1130	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9565	0.032	2	108.9565	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1980	0.332	3	109.1980	0.110	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2555	0.035	2	109.2555	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.6058	1.184	4	109.6058	1.402	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3420	0.261	6	109.3420	0.068	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]F)2(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	109.4220	0.027	2	109.4220	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8020	0.059	6	108.8020	0.004	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CHHN){1|C<3>,1|H<1>}	H(CC[6a]HN)	109.3175	0.029	6	109.3175	0.001	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.1550	0.057	2	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.3427	0.554	46	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	109.3528	0.142	4	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.3605	0.018	2	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3717	0.969	255	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.8877	0.369	12	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NH3)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|N<2>,2|H<1>}	H(CC[6a]HN)	109.2955	0.180	11	109.3400	0.782	332	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHHN)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4917	0.114	4	109.4917	0.013	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5974	0.265	10	108.5974	0.070	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NHgCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NHgCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4690	0.073	8	109.4690	0.005	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NInHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NInHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9357	0.137	4	108.9357	0.019	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.6859	0.262	29	109.6859	0.069	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9060	0.049	2	108.9060	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3780	0.000	1	109.3780	0.000	1	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8020	0.076	2	108.8020	0.006	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NIrHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.3570	0.004	2	109.3570	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLi2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLi2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4805	0.037	2	108.4805	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9280	0.035	2	108.9280	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8110	0.041	2	108.8110	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.5602	0.220	5	108.7054	0.094	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0685	0.040	2	108.7054	0.094	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8549	0.240	10	108.8549	0.058	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8040	0.056	3	108.8040	0.003	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0430	0.031	2	109.0430	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NLiCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9650	0.008	2	108.9650	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMg2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMg2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9631	1.089	8	108.9631	1.187	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMg2H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMg2H)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5950	0.038	2	108.5950	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	108.4970	0.000	1	108.5903	0.271	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.5306	0.588	29	108.5903	0.271	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8510	0.042	2	108.5903	0.271	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.8581	0.183	8	108.5903	0.271	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HN)	108.1710	0.049	2	108.5903	0.271	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1038	0.033	4	109.1038	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4655	0.223	4	108.4655	0.050	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9617	0.286	8	107.9617	0.082	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]HN)	108.7517	0.110	3	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.0953	0.027	3	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.4933	0.090	4	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.7920	0.005	4	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8466	0.409	38	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5610	0.023	2	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.8517	0.122	4	108.8169	0.125	58	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.2709	0.221	8	108.2709	0.049	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.9103	0.048	4	108.3764	0.135	16	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.3325	0.011	2	108.3764	0.135	16	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1717	0.227	10	108.3764	0.135	16	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2288	0.129	4	108.2288	0.017	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7494	0.447	9	108.7494	0.200	9	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.3588	0.284	4	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.4933	0.431	4	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8812	0.324	14	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	108.2200	0.000	1	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3905	0.026	2	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.0875	0.020	4	108.6585	0.211	29	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NMoCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.7311	1.200	14	108.7311	1.439	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.5116	0.273	19	108.5116	0.074	19	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.2690	1.102	8	108.3721	0.712	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.1605	0.008	2	108.3721	0.712	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6842	0.252	4	108.3721	0.712	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	106.9900	0.280	2	106.9900	0.078	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2225	0.008	2	108.2225	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.1520	0.042	2	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.6403	0.157	11	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,2|C<3>}	H(CC[6a]HN)	108.6292	0.352	26	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	108.9152	0.308	5	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	108.1681	0.241	16	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|O<3>}	H(CC[6a]HN)	108.7421	0.215	16	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.5608	0.418	53	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4883	0.262	19	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	108.9365	0.414	22	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.4649	0.110	8	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	111.0790	0.880	2	108.6796	0.248	180	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.1216	0.292	38	108.1671	0.104	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5995	0.296	4	108.1671	0.104	42	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6935	0.423	6	108.2247	0.622	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.0483	0.354	59	108.2247	0.622	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|O<2>}	H(CC[6a]HN)	112.0195	0.978	2	108.2247	0.622	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.8308	0.506	6	109.8803	0.162	19	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	109.7777	0.652	4	109.8803	0.162	19	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.9589	0.179	9	109.8803	0.162	19	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7870	0.024	2	109.7870	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.7290	0.000	1	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	109.0373	0.311	12	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.9010	0.049	2	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7391	0.442	46	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|I<1>}	H(CC[6a]HN)	109.0973	0.209	4	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Br<1>,1|C<3>}	H(CC[6a]HN)	109.4850	0.041	2	108.8558	0.194	67	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.0663	0.299	7	108.9117	0.140	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5510	0.291	3	108.9117	0.140	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9013	0.443	9	108.6994	0.263	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8062	0.439	12	108.6994	0.263	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6178	0.541	38	108.6994	0.263	59	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiCH)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	113.3603	2.275	4	113.3603	5.178	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NNiHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.2212	0.094	4	109.2212	0.009	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NOsHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NOsHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.6635	0.064	2	109.6635	0.004	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPbCC)(H)2	C[6a](C[6a]C[6a]Pb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPbCC)(H)2	C[6a](C[6a]C[6a]Pb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1813	0.090	4	109.1813	0.008	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPbCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPbCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2820	0.491	4	108.2820	0.241	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9123	0.407	7	108.9123	0.165	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	109.0685	0.029	2	109.0685	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	109.0575	1.022	2	109.6429	3.943	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.6560	0.453	2	109.6429	3.943	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	107.8810	1.214	4	109.6429	3.943	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	111.6910	1.615	4	109.6429	3.943	12	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4153	0.316	4	108.4153	0.100	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4721	0.413	25	108.4721	0.171	25	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.9490	0.035	2	108.9490	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.9888	0.058	6	109.9888	0.003	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	110.1770	0.184	4	110.1785	0.017	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.1795	0.101	6	110.1785	0.017	10	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.7680	0.561	54	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HN)	109.9310	0.052	4	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HN)	110.1377	0.038	7	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	109.1805	0.095	14	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,2|F<1>}	H(CC[6a]HN)	110.1775	0.054	2	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.9526	0.427	208	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.7915	0.159	6	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	110.1155	0.040	2	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.7639	0.318	7	109.8832	0.214	304	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9183	0.301	8	108.9183	0.091	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3350	0.487	4	109.3350	0.237	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]C)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4235	0.156	4	109.4235	0.024	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.9100	0.257	4	108.9100	0.066	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	109.3855	0.320	4	109.3855	0.103	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8372	0.265	17	108.8372	0.070	17	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.1335	0.050	4	110.1335	0.003	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdCH)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1540	0.116	4	109.1540	0.014	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0035	0.021	2	109.0035	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8197	0.390	14	108.8197	0.152	14	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPdHH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.0515	0.105	8	110.0515	0.011	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a,6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a,6a]Pt)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	110.0115	0.035	4	110.0115	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4500	0.027	2	108.4500	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	109.8325	0.061	4	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.6731	0.258	52	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]HN)	109.6727	0.233	4	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.8641	0.156	36	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>}	H(CC[6a]HN)	109.7657	0.189	15	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	109.8535	0.096	6	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHN){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.7163	0.071	3	109.7574	0.049	120	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NPtCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.5095	0.640	4	109.5095	0.410	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HN)	108.5340	0.000	1	108.4566	0.016	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.3185	0.011	2	108.4566	0.016	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5560	0.006	2	108.4566	0.016	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.1423	0.487	8	108.1423	0.238	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NReCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NReCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1480	0.006	2	109.1480	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.7147	0.088	7	108.7147	0.008	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2765	0.719	4	109.2765	0.517	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.1225	0.025	2	109.4205	2.260	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	110.7185	0.203	2	109.4205	2.260	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.8610	0.236	6	108.8610	0.056	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.4153	0.311	7	109.4153	0.097	7	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHN){1|Rh<8>,1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]HN)	108.9895	0.025	2	108.9895	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCH)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRhCH)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.6562	0.301	4	109.6562	0.090	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6997	0.113	4	108.6997	0.013	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8208	0.066	5	108.8208	0.004	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9957	0.070	6	107.9957	0.005	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.2135	0.534	4	109.2135	0.286	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0184	0.312	5	109.0184	0.098	5	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4890	0.082	4	108.4890	0.007	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.7770	0.017	2	108.7770	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6561	1.292	8	108.6561	1.671	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NRuHH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	109.3955	0.067	2	109.3955	0.005	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSbCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSbCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.5814	0.199	47	109.5028	0.084	91	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSbCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSbCC)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.4188	0.347	44	109.5028	0.084	91	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSmCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSmCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.9285	0.626	8	108.9285	0.392	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSn2C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSn2C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	107.9590	0.048	2	107.9590	0.002	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8270	0.162	4	108.8270	0.026	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.8837	0.054	3	108.8837	0.003	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.5588	0.029	4	108.5588	0.001	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4232	0.062	4	108.4232	0.004	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.3924	0.252	50	109.3703	0.073	85	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSnCC)(H)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3387	0.297	35	109.3703	0.073	85	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NSrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NSrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	103.5715	2.261	2	103.5715	5.110	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTeCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTeCC)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.7360	0.018	2	109.7360	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	107.8590	0.102	2	107.8590	0.010	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.3069	0.334	8	108.3069	0.111	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiCC)(H)2	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	111.0767	1.626	6	111.0767	2.642	6	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NTiHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NTiHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8283	0.315	3	108.8283	0.099	3	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZn2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZn2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.8478	0.582	8	108.8478	0.339	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.0005	0.013	2	108.0005	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.4472	0.220	4	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]HN)	108.5774	0.320	8	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	107.7690	0.000	1	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.6567	0.423	91	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3109	0.409	7	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]HN)	109.2177	0.037	3	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.9335	0.143	4	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|I<1>,2|C<3>}	H(CC[6a]HN)	108.5840	0.000	1	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){2|Cl<1>,1|C<3>}	H(CC[6a]HN)	108.6283	0.159	4	108.6390	0.173	123	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.4445	0.023	2	108.4445	0.001	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.2650	0.000	1	108.3231	0.058	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3475	0.226	25	108.3231	0.058	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|H<1>,2|C<3>}	H(CC[6a]HN)	108.1850	0.352	4	108.3231	0.058	30	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCC)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.6060	0.000	1	108.6060	0.000	1	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.4657	0.426	4	108.4657	0.181	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	H(CC[6a]HN)	108.2550	0.349	4	108.2550	0.122	4	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HN)	108.7641	0.270	8	108.9416	0.171	49	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|C<4>}	H(CC[6a]HN)	108.9801	0.499	22	108.9416	0.171	49	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.0551	0.341	13	108.9416	0.171	49	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|C<3>,2|I<1>}	H(CC[6a]HN)	108.7308	0.386	4	108.9416	0.171	49	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HN)	108.9110	0.020	2	108.9416	0.171	49	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	108.6340	0.642	4	109.0973	0.259	74	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.1238	0.492	70	109.0973	0.259	74	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZnHH)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.3354	0.240	8	108.3354	0.057	8	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZrCC)(H)2	C[6a](C[6a]C[6a]Zr)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]2)(NZrCC)(H)2	C[6a](C[6a]C[6a]Zr)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HN)	109.6895	0.011	2	109.6895	0.000	2	109.0689	0.813	5616	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN)	H(CC[6a]HN)	C(C[6a]C[6a]N[6a])(NCuCC)(H)2	C[6a](N[6a]C[6a]Cu)(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HN)	109.7460	0.209	8	109.7460	0.044	8	109.7460	0.044	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[4]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	H(CC[6a]N[4]H)	108.7180	0.175	2	108.7180	0.031	2	108.7180	0.031	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2Ni)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2Ni)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CN[5]HH){2|H<1>,5|C<3>}	H(CC[6a]N[5]H)	108.5705	0.180	2	108.5705	0.033	2	108.5705	0.033	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.2645	0.019	2	109.2645	0.000	2	109.2645	0.000	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.2490	0.000	1	108.2490	0.000	1	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.4607	0.123	3	108.4607	0.015	3	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.2102	0.320	6	108.2102	0.103	6	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>,3|O<2>}	H(CC[6a]N[5]H)	109.2450	0.157	4	109.2450	0.025	4	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	108.9458	0.496	4	108.9458	0.246	4	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1092	0.257	6	109.1092	0.066	6	108.7629	0.254	24	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.6410	0.024	5	108.4206	0.046	24	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3626	0.203	19	108.4206	0.046	24	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>,3|O<2>}	H(CC[6a]N[6]H)	109.4460	0.006	2	109.4460	0.000	2	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.1990	0.055	2	109.1990	0.003	2	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.8156	0.102	5	108.8156	0.010	5	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[6]H)	108.5615	0.025	2	109.0350	0.519	26	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.0392	0.189	10	109.0350	0.519	26	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	109.0996	0.966	14	109.0350	0.519	26	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CN[6]HH){2|C<3>}	H(CC[6a]N[6]H)	108.5200	0.000	1	108.5200	0.000	1	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.9665	0.164	4	108.8702	0.590	54	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8630	0.840	44	108.8702	0.590	54	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	109.3190	0.020	2	108.8702	0.590	54	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|N<2>,2|H<1>}	H(CC[6a]N[6]H)	108.6292	0.255	4	108.8702	0.590	54	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.9279	0.266	12	109.0435	0.119	22	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.1822	0.388	10	109.0435	0.119	22	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.2165	0.063	2	109.2165	0.004	2	108.8643	0.404	138	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Nb-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NbCCN)(H)2	C[6a](C[6a]C[6a]H)2(CNbHH)	H(CC[6a]NbH)	C(C[6a]C[6a]2)(NbCCN)(H)2	C[6a](C[6a]C[6a]H)2(CNbHH){1|C<3>,2|H<1>}	H(CC[6a]NbH)	113.7155	0.091	2	113.7155	0.008	2	113.7155	0.008	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:O-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(OMnNi2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(OMnNi2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.1710	0.020	2	108.1710	0.000	2	108.3687	0.117	3	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:O-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(ONi3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	H(CC[6a]HO)	C(C[6a]C[6a]2)(ONi3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	H(CC[6a]HO)	108.7640	0.000	1	108.7640	0.000	1	108.3687	0.117	3	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP)	H(CC[6a]FP)	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP){1|C<3>,2|H<1>}	H(CC[6a]FP)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|H<1>,2|O<1>,3|C<3>}	H(CC[6a]HP)	108.6140	0.316	4	108.6140	0.100	4	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP){1|Ga<6>,1|Pd<5>,1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.4125	0.980	4	108.4125	0.961	4	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<12>,2|C<3>,2|C<4>}	H(CC[6a]HP)	108.0390	0.014	2	109.3065	2.442	8	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<8>,2|C<3>,2|C<4>}	H(CC[6a]HP)	110.6340	0.061	2	109.3065	2.442	8	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	H(CC[6a]HP)	109.2765	1.858	4	109.3065	2.442	8	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	H(CC[6a]HP)	108.4265	0.016	2	108.4265	0.000	2	108.8562	1.370	18	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Fe<4>,1|C<4>,3|C<3>}	H(CC[6a]HP)	108.0420	0.210	4	108.0420	0.044	4	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ni<4>,1|C<4>,3|C<3>}	H(CC[6a]HP)	109.6792	0.189	8	109.6792	0.036	8	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP){1|H<1>,3|C<3>}	H(CC[6a]HP)	109.3577	0.488	4	109.3577	0.238	4	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Pd<4>,1|C<4>,3|C<3>}	H(CC[6a]HP)	110.0375	0.169	4	110.0375	0.029	4	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Fe<4>,1|C<4>,3|C<3>}	H(CC[6a]HP)	108.2797	0.996	21	108.2797	0.993	21	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Li<3>,1|C<4>,3|C<3>}	H(CC[6a]HP)	109.5832	1.224	4	109.5832	1.499	4	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ti<6>,1|C<4>,3|C<3>}	H(CC[6a]HP)	109.1183	1.156	8	109.1183	1.336	8	108.9120	1.135	53	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PC[6]2Ru)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PC[6]2Ru)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP){1|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HP)	109.7030	0.046	4	109.7030	0.002	4	109.5886	0.224	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]HP)	108.8450	0.286	4	108.8450	0.082	4	109.5886	0.224	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]HP)	109.9562	0.044	4	109.9032	0.008	8	109.5886	0.224	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6,6a]C[6a])(PRuCC)(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CHHP){1|Ru<6>,1|H<1>,3|C<3>}	H(CC[6a]HP)	109.8503	0.097	4	109.9032	0.008	8	109.5886	0.224	16	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	H(CC[6a]HP)	108.4591	0.483	10	108.4591	0.233	10	108.4591	0.233	10	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	108.8710	0.290	4	108.8710	0.084	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	108.5233	0.802	4	108.5233	0.643	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2Ru)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6]2Ru)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	106.6805	0.039	2	106.6805	0.002	2	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	112.0498	1.626	4	112.0498	2.644	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Pt<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.6155	0.039	2	108.6155	0.002	2	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	110.8888	2.010	4	110.8888	4.041	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.5463	0.279	4	108.5463	0.078	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.6630	0.038	2	108.5690	0.013	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,1|I<1>,3|C<3>}	H(CC[6a]HP)	108.4750	0.049	2	108.5690	0.013	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	H(CC[6a]HP)	110.0545	0.019	2	110.0545	0.000	2	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	108.3249	0.321	11	108.3249	0.103	11	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	111.9528	2.708	4	111.9528	7.331	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PPdCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PPdCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	107.3413	0.238	4	107.3413	0.057	4	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PPtCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]C[6a])(PPtCC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]HP)	109.7710	0.069	2	109.7710	0.005	2	109.1919	3.264	51	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PBCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.1268	1.150	4	110.1268	1.323	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PBCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5820	0.011	2	108.5820	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PBrCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PBrCW)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.6140	0.037	2	108.6140	0.001	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.1536	0.502	8	108.1536	0.252	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4756	0.863	16	108.4756	0.745	16	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.9053	0.128	7	108.9053	0.016	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.3945	0.011	2	109.3945	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP){3|C<3>}	H(CC[6a]HP)	107.9794	0.732	11	107.9794	0.537	11	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.2493	0.174	4	108.2493	0.030	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.6725	0.008	2	108.6725	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	H(CC[6a]HP)	109.3045	0.211	4	109.3045	0.045	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4010	0.128	6	108.4010	0.016	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]2)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]2)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	110.1695	0.080	2	110.1695	0.006	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[3x6]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.1105	0.204	8	110.1105	0.042	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.8425	0.023	4	109.8425	0.001	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]BC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]BC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	H(CC[6a]HP)	109.2968	1.091	4	109.2968	1.190	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[5]RuC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[5]RuC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	H(CC[6a]HP)	109.0657	0.415	8	109.0657	0.172	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]2Ni)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]2Ni)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.2295	0.043	8	110.2295	0.002	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.0962	0.139	4	109.0962	0.019	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.6905	0.035	2	109.6905	0.001	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Au)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Au)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.2390	0.021	2	109.2390	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1325	0.029	2	109.1325	0.001	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0865	0.681	4	108.0865	0.464	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Co)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Co)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.8535	0.433	18	110.8535	0.187	18	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Cu)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Cu)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4800	0.207	4	109.4800	0.043	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1200	0.062	4	109.1200	0.004	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Hf)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Hf)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.3835	0.009	2	108.3835	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5655	0.047	2	108.5655	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.8862	0.066	4	107.8862	0.004	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.0343	1.058	4	109.0343	1.119	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.8980	0.318	4	107.8980	0.101	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.1410	0.000	1	110.1410	0.000	1	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.3757	0.224	11	110.3757	0.050	11	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Mg)(H)2	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Mg)(H)2	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	111.0904	1.568	8	111.0904	2.457	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Mn)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Mn)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	109.2487	0.467	6	109.2487	0.218	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5505	0.094	2	108.5505	0.009	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8660	0.000	1	108.8660	0.000	1	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ni)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	112.2739	1.149	12	112.2739	1.320	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.0097	0.353	4	109.0097	0.124	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8905	0.042	2	108.8905	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.0410	0.858	2	110.0410	0.737	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HP)	109.3683	0.239	4	109.3683	0.057	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HP)	108.6835	0.009	2	108.9311	0.307	9	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.6838	0.363	5	108.9311	0.307	9	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.7970	0.013	2	108.9311	0.307	9	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP){3|C<3>}	H(CC[6a]HP)	109.2480	0.040	2	109.2480	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	109.6510	0.011	2	109.6510	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.2818	0.250	6	109.2818	0.063	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8475	0.059	2	108.8475	0.003	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.3850	0.017	2	108.3850	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]HP)	109.1930	0.021	2	108.6405	0.128	11	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5178	0.258	9	108.6405	0.128	11	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.8580	0.671	3	108.7474	0.248	5	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5815	0.032	2	108.7474	0.248	5	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.0514	0.144	8	110.0514	0.021	8	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.2606	0.245	5	110.2103	0.047	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HP)	110.0845	0.008	2	110.2103	0.047	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8361	0.293	14	108.8361	0.086	14	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CHHP){1|Pt<8>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	107.5520	0.075	4	107.5520	0.006	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4160	0.014	2	109.4160	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	107.5860	0.466	3	107.9185	0.260	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.2510	0.318	3	107.9185	0.260	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.4520	0.054	2	110.4520	0.003	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Re)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Re)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.8814	0.700	7	109.8814	0.489	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4285	0.018	2	108.4285	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.8790	0.510	4	108.8790	0.260	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.5690	0.041	3	108.5690	0.002	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.9605	0.040	2	108.9605	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.3737	0.457	12	108.3737	0.209	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.0900	0.348	8	110.1857	0.135	10	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Ru)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.5685	0.018	2	110.1857	0.135	10	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1805	0.057	4	109.1805	0.003	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.7360	0.694	4	107.7360	0.481	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1815	0.016	2	109.1815	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]2Zr)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.1122	1.212	6	108.1122	1.469	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	108.6450	0.000	1	108.6450	0.000	1	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1510	0.000	1	109.1510	0.000	1	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8470	0.099	2	108.8470	0.010	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	H(CC[6a]HP)	109.5307	1.858	6	109.5307	3.451	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.9355	0.008	2	108.9355	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]HP)	107.8660	0.007	2	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]HP)	109.1725	0.177	4	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.4765	0.062	2	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HP)	108.8855	0.036	2	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.0463	0.363	4	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.1844	1.460	130	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|O<2>}	H(CC[6a]HP)	108.5820	0.016	2	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<4>,2|C<3>}	H(CC[6a]HP)	108.7095	0.914	4	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	108.7698	0.783	6	109.0893	1.885	156	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0931	0.091	7	108.0931	0.008	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.5473	0.147	4	108.5211	0.014	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4863	0.073	3	108.5211	0.014	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	H(CC[6a]HP)	109.1686	0.058	7	109.1686	0.003	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	108.8225	0.018	2	108.8225	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0575	0.025	2	108.0575	0.001	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4860	0.006	2	109.4860	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]CoC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.1500	0.020	2	108.1500	0.000	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]FeH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]FeH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHP){2|C<4>,3|C<3>}	H(CC[6a]HP)	109.0700	0.171	2	109.0700	0.029	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4520	0.000	1	109.4520	0.000	1	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]NiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]NiC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.9627	0.190	4	107.9627	0.036	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.0085	0.217	12	109.0085	0.047	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8708	0.240	4	108.8708	0.057	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HP)	108.0350	0.228	4	108.4199	0.153	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]PdC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.6124	0.301	8	108.4199	0.153	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PClBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PClBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.6010	0.804	4	110.6010	0.647	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HP)	107.3865	0.341	4	108.9431	1.254	68	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PCuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.0404	1.079	64	108.9431	1.254	68	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PFe2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFe2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4465	0.096	4	108.4465	0.009	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFeCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.8472	0.242	6	107.8472	0.058	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PFeCN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PFeCN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	H(CC[6a]HP)	109.4673	0.008	3	109.4673	0.000	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PHgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PHgCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.4228	0.183	6	109.4228	0.034	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.0923	0.216	4	109.0923	0.047	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.3569	1.502	20	108.3569	2.255	20	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]HP)	109.6857	0.248	4	110.3636	1.364	358	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.3762	1.175	351	110.3636	1.364	358	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PIrCC)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]HP)	109.7837	0.347	3	110.3636	1.364	358	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PN[5a]2Rh)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PN[5a]2Rh)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.6862	0.298	24	110.6862	0.089	24	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHP){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	109.5580	0.378	3	109.2593	0.452	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHP){1|Ni<5>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	108.3630	0.000	1	109.2593	0.452	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.7264	0.651	7	107.7264	0.424	7	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PNiCC)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.4139	0.193	65	110.4139	0.037	65	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	107.7915	0.040	2	107.7915	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.6423	0.441	24	108.6423	0.194	24	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.8055	0.443	11	108.8017	0.164	13	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	H(CC[6a]HP)	108.7810	0.013	2	108.8017	0.164	13	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|C<4>,1|C<7>}	H(CC[6a]HP)	108.2057	0.086	3	108.3413	0.078	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.7480	0.000	1	108.3413	0.078	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]HP)	114.0975	4.484	2	114.0975	20.104	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	H(CC[6a]HP)	108.7045	0.457	18	108.6340	0.216	69	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.6485	0.483	39	108.6340	0.216	69	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|H<1>,2|C<3>}	H(CC[6a]HP)	108.4965	0.607	6	108.6340	0.216	69	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|Ir<6>,1|C<3>,1|H<1>}	H(CC[6a]HP)	108.4960	0.138	4	108.6340	0.216	69	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|N<2>,2|N<3>}	H(CC[6a]HP)	108.4030	0.035	2	108.6340	0.216	69	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(POsCC)(H)2	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(POsCC)(H)2	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.5595	0.295	15	110.5595	0.087	15	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	106.8644	0.652	20	106.8644	0.425	20	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.2623	0.698	6	108.1472	0.349	16	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0782	0.546	10	108.1472	0.349	16	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.0873	0.660	6	107.8993	0.349	23	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.8330	0.571	17	107.8993	0.349	23	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.1328	0.192	4	110.1328	0.037	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.9808	0.416	161	110.0086	0.157	191	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]HP)	110.0866	0.185	24	110.0086	0.157	191	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.4447	0.143	6	110.0086	0.157	191	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdCC)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CHHP){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	108.5260	0.105	3	108.5260	0.011	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPdOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPdOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.7090	0.048	2	107.7090	0.002	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pt)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pt)(CHHP){1|C<4>,2|C<3>}	H(CC[6a]HP)	109.6305	0.030	2	109.6305	0.001	2	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	H(CC[6a]HP)	108.2612	1.652	4	108.2612	2.729	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.4113	0.815	10	107.4113	0.664	10	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.2110	0.415	6	107.2110	0.172	6	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.9597	0.610	55	107.9597	0.372	55	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	110.0492	0.173	10	110.1809	0.108	14	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.5102	0.418	4	110.1809	0.108	14	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PPtCC)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CHHP){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]HP)	108.5880	0.029	3	108.5880	0.001	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PReCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PReCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.0899	0.211	12	108.0899	0.044	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PReCC)(H)2	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PReCC)(H)2	C[6a](C[6a]C[6a]Re)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.9467	0.090	4	109.9467	0.008	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	106.7084	0.827	13	106.7084	0.683	13	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	107.5451	0.408	12	107.5451	0.166	12	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]C)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.8050	1.098	14	109.8050	1.206	14	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRhCC)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	109.9991	0.198	11	109.9991	0.039	11	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.2914	1.306	14	108.2423	0.899	30	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.1994	0.506	16	108.2423	0.899	30	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	111.3920	2.042	56	111.3920	4.169	56	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCC)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]N[6a]H)(CHHP){1|C<3>,1|C<4>}	H(CC[6a]HP)	109.9260	0.044	3	109.9260	0.002	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PRuCO)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PRuCO)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	111.6012	2.130	4	111.6012	4.537	4	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.5097	0.029	3	108.5097	0.001	3	109.4520	1.941	1798	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]HP)	109.0730	0.000	1	109.0730	0.000	1	109.7454	3.713	5	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){1|O<1>,2|C<3>}	H(CC[6a]HP)	109.3870	0.017	2	109.3870	0.000	2	109.7454	3.713	5	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PO3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PO3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){1|N<3>,2|O<1>}	H(CC[6a]HP)	110.4400	3.630	2	110.4400	13.179	2	109.7454	3.713	5	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P-4:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]RuC)(H)2	C[6a](N[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]RuC)(H)2	C[6a](N[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]HP)	109.8090	1.162	4	109.8090	1.351	4	109.8090	1.351	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	H(CC[6a]P[5]H)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]P[5]H)	108.3025	0.490	4	108.3025	0.240	4	108.9829	0.700	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	H(CC[6a]P[5]H)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|Ni<4>,1|C<4>,3|C<3>}	H(CC[6a]P[5]H)	109.6633	0.400	4	109.6633	0.160	4	108.9829	0.700	8	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HH)	H(CC[6a]P[6]H)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HH){2|H<1>,5|C<3>}	H(CC[6a]P[6]H)	107.9315	0.293	2	107.9315	0.086	2	107.9315	0.086	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CP[6]HH)	H(CC[6a]P[6]H)	C(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CP[6]HH){1|H<1>,3|C<3>}	H(CC[6a]P[6]H)	108.6190	0.025	2	108.6190	0.001	2	108.6190	0.001	2	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CP[6]HH)	H(CC[6a]P[6]H)	C(C[6a]C[6a]2)(P[6]C[6]2C)(H)2	C[6a](C[6a]C[6a]H)2(CP[6]HH){1|C<3>,2|H<1>}	H(CC[6a]P[6]H)	108.4900	0.027	4	108.4900	0.001	4	108.4900	0.001	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHS)	H(CC[6a]FS)	C(C[6a]C[6a]2)(SC[6a]OO)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHS){1|C<3>,2|H<1>}	H(CC[6a]FS)	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHS){2|O<2>,3|C<3>}	H(CC[6a]HS)	112.6945	1.266	4	112.6945	1.602	4	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.1970	0.040	2	110.1970	0.002	2	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.2613	0.581	17	109.1434	0.333	21	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.6423	0.099	4	109.1434	0.333	21	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[5]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[5]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.9830	0.048	2	109.9830	0.002	2	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.8378	0.652	6	108.8378	0.425	6	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]NO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.9627	0.022	8	108.9627	0.000	8	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.0911	0.532	15	109.0567	0.618	38	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0343	0.926	23	109.0567	0.618	38	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]PdO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SC[6a]PdO)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.7160	0.051	2	110.7160	0.003	2	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIrCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	108.9240	0.000	1	108.9240	0.000	1	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SIrCO)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SIrCO)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.1257	0.203	8	110.1257	0.041	8	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	109.2763	0.199	4	109.2763	0.040	4	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	116.0495	0.828	2	116.0495	0.686	2	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.7965	0.066	2	109.7965	0.004	2	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SNOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.4880	0.872	10	109.4880	0.760	10	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SN[5]OO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SN[5]OO)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CHHS){1|H<1>,2|C<3>}	H(CC[6a]HS)	108.8580	0.165	4	108.8580	0.027	4	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SN[6]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	110.7098	1.814	6	110.7098	3.290	6	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HS)	108.9797	0.095	4	109.0087	0.007	6	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHS){1|C<3>,2|H<1>}	H(CC[6a]HS)	109.0665	0.012	2	109.0087	0.007	6	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHS){1|Cl<1>,1|C<3>,1|O<2>}	H(CC[6a]HS)	109.1840	0.000	1	109.1840	0.000	1	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]HS)	109.1502	0.198	4	109.2419	0.034	25	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|C<3>,2|C<4>}	H(CC[6a]HS)	109.2722	0.187	19	109.2419	0.034	25	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS)	H(CC[6a]HS)	C(C[6a]C[6a]2)(SO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHS){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]HS)	109.1380	0.018	2	109.2419	0.034	25	109.4806	1.492	152	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(SiC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a,6a]2)(SiC3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CSiHH){2|H<1>,5|C<3>}	H(CC[6a]SiH)	108.2435	0.457	4	108.2435	0.208	4	108.2435	0.208	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a,6a]C[6a])(SiC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CSiHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]SiH)	108.3777	0.296	4	108.3777	0.087	4	108.3777	0.087	4	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SiH)	108.9460	0.000	1	108.9460	0.000	1	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CSiHH){1|C<3>,1|H<1>}	H(CC[6a]SiH)	109.9215	1.583	2	109.9215	2.507	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]SiH)	109.6025	0.087	2	108.9496	0.270	13	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.8309	0.471	11	108.9496	0.270	13	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]N)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]N)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.2025	0.110	4	108.2025	0.012	4	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	H(CC[6a]SiH)	108.1662	0.575	17	108.1662	0.331	17	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCH)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	111.2545	1.842	2	111.2545	3.393	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	H(CC[6a]SiH)	108.7552	0.096	4	108.7552	0.009	4	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	107.1233	0.036	3	107.1233	0.001	3	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCCO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.5755	0.022	2	108.5755	0.000	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.7660	0.034	2	108.7660	0.001	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiHH){1|H<1>,2|C<3>}	H(CC[6a]SiH)	110.3895	1.535	4	110.3895	2.355	4	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2Fe)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	H(CC[6a]SiH)	109.1335	0.045	2	109.1335	0.002	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]2H)(H)2	C[6a](C[6a]C[6a]C)2(CSiHH){1|C<3>,2|C<4>}	H(CC[6a]SiH)	108.5082	0.472	6	108.5082	0.223	6	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]CC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	109.3485	0.053	2	109.3485	0.003	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CoO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]CoO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	H(CC[6a]SiH)	109.6490	0.000	1	109.6490	0.000	1	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]FeC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiC[6a]FeC)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	H(CC[6a]SiH)	109.5605	0.042	2	109.5605	0.002	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiIrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiIrCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.9823	0.807	22	108.9823	0.652	22	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiPtCC)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.2940	0.037	2	108.2940	0.001	2	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiRhCC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	108.8232	1.427	11	108.8232	2.037	11	108.8230	1.019	102	108.9823	1.039	20486	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	2:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	H(CC[6a]CO)	107.3887	0.808	3	107.3887	0.653	3	108.3050	1.343	6	108.3050	1.343	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	2:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	H(CC[6a]CO)	109.0530	0.450	2	109.0530	0.202	2	108.3050	1.343	6	108.3050	1.343	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	2:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-2:N[6a]-3:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	H(CC[6a]CO)	109.5580	0.000	1	109.5580	0.000	1	108.3050	1.343	6	108.3050	1.343	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.3630	0.000	1	110.3630	0.000	1	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1030	0.000	1	108.1030	0.000	1	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,1|H<1>}	H(CC[6a]CO)	109.3505	0.477	2	109.3505	0.228	2	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6170	0.000	1	108.6170	0.000	1	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9320	0.000	1	108.9320	0.000	1	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0470	0.000	1	109.0470	0.000	1	109.1090	0.534	7	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]CO)	108.8460	0.042	2	108.8460	0.002	2	108.8460	0.002	2	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]CO)	106.9650	0.000	1	106.9650	0.000	1	107.9260	1.847	2	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]CO)	108.8870	0.000	1	108.8870	0.000	1	107.9260	1.847	2	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.7260	0.000	1	108.7260	0.000	1	108.2450	0.463	2	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]N[6a])(C[5]C[5]2Fe)(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.7640	0.000	1	107.7640	0.000	1	108.2450	0.463	2	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:2:4:	4:	C[6a]-3:Si-4:O-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO)	H(CC[6a]SiO)	C(C[6a]C[6a]N[6a])(SiC3)(OH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CSiHO){1|C<3>,2|O<2>}	H(CC[6a]SiO)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	108.5149	0.866	16	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]CC)	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3973	0.168	3	106.3973	0.028	3	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9150	0.000	1	107.9150	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.6740	0.000	1	108.6740	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2560	0.000	1	107.2560	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8260	0.586	5	107.8260	0.344	5	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1470	0.000	1	107.1470	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.7740	0.000	1	108.1631	0.388	13	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.8110	0.000	1	108.1631	0.388	13	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	108.2890	0.000	1	108.1631	0.388	13	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2246	0.694	10	108.1631	0.388	13	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C[6a](C[6a]C[6a]C)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C[6a](C[6a]C[6a]C)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5600	0.000	1	106.5600	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	102.4660	0.000	1	102.4660	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.7980	0.000	1	108.7980	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4635	0.030	2	107.4635	0.001	2	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.9240	0.040	2	106.9240	0.002	2	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.1825	1.003	2	107.1825	1.007	2	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.5390	0.000	1	107.5390	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7400	0.000	1	107.7400	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH){2|C<3>}	H(CC[6a]CC)	107.6600	0.000	1	107.6600	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	102.4530	0.000	1	102.4530	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.3233	0.215	4	108.3233	0.046	4	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2690	0.390	2	108.2690	0.152	2	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	110.9110	0.000	1	110.9110	0.000	1	107.6118	2.007	45	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CN)	109.0430	0.160	2	109.0042	0.126	12	108.8298	0.341	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.9964	0.389	10	109.0042	0.126	12	108.8298	0.341	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.7835	0.701	2	107.7835	0.491	2	108.8298	0.341	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9640	0.000	1	106.9640	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5990	0.000	1	107.5990	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4240	0.000	1	108.4240	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7805	1.155	2	106.7805	1.333	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.8830	0.518	2	108.8830	0.268	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3530	0.000	1	109.3530	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7700	0.000	1	107.7700	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8250	0.000	1	106.8250	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.8425	0.466	2	108.8425	0.217	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7590	0.000	1	107.7590	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1410	0.000	1	109.1410	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5430	0.000	1	108.1710	0.277	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.7990	0.000	1	108.1710	0.277	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1217	0.898	3	107.1217	0.806	3	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9580	0.000	1	106.9580	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	110.0130	0.000	1	110.0130	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	113.2940	0.334	2	113.2940	0.111	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4945	1.292	2	107.4945	1.669	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3820	0.000	1	108.3820	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6050	0.000	1	107.6050	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8920	0.000	1	107.8920	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	H(CC[6a]CN)	109.7390	0.000	1	109.7390	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8160	0.000	1	107.8160	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.6700	3.864	2	110.6700	14.928	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.4495	0.451	4	109.4495	0.203	4	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9425	1.030	2	107.9425	1.061	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.7370	0.000	1	108.8539	0.568	11	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9656	0.692	10	108.8539	0.568	11	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3469	1.098	15	108.3469	1.205	15	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4660	0.000	1	108.4660	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7630	0.000	1	107.7630	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.6087	1.623	3	110.6087	2.633	3	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7640	0.000	1	107.7640	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.4523	0.264	3	109.4523	0.069	3	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.8690	0.000	1	108.8690	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0614	0.678	7	108.0614	0.460	7	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.7990	0.000	1	109.7990	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7600	0.000	1	106.7600	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	107.3590	0.000	1	107.3590	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.8490	0.731	2	107.8490	0.535	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5388	0.734	54	108.5388	0.539	54	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.8660	0.000	1	108.8660	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4725	0.236	4	108.4725	0.056	4	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NPd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NPd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8070	0.000	1	107.8070	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NRu)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NRu)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9570	0.000	1	108.9570	0.000	1	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.8365	0.588	2	108.8365	0.345	2	108.5606	1.353	149	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO){1|B<4>,1|H<1>,4|C<3>}	H(CC[6a]CO)	108.4750	0.000	1	108.4750	0.000	1	109.0542	0.464	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){1|O<2>,2|N<3>,3|C<3>}	H(CC[6a]CO)	110.0320	0.000	1	110.0320	0.000	1	109.0542	0.464	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){2|O<2>,4|C<3>}	H(CC[6a]CO)	108.7540	0.000	1	108.7540	0.000	1	109.0542	0.464	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<4>,3|C<3>}	H(CC[6a]CO)	108.9560	0.000	1	108.9560	0.000	1	109.0542	0.464	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHO){2|H<1>,5|C<3>}	H(CC[6a]CO)	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	107.7120	0.000	1	107.7120	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.0970	0.000	1	108.0970	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CO)	109.2220	0.000	1	109.2220	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHO){1|H<1>,3|C<3>}	H(CC[6a]CO)	108.2720	0.000	1	108.2720	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.8460	0.000	1	108.8460	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){1|O<1>,2|C<3>,2|O<2>}	H(CC[6a]CO)	111.1110	0.000	1	111.1110	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	109.8030	0.087	3	109.8030	0.008	3	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	109.1220	0.000	1	109.1220	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCHO){1|H<1>,3|C<3>}	H(CC[6a]CO)	108.5530	0.000	1	108.5530	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CCHO){1|O<2>,3|C<3>}	H(CC[6a]CO)	107.7090	0.348	2	107.7090	0.121	2	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	109.6560	0.000	1	109.6560	0.000	1	108.9584	1.043	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5680	0.000	1	107.5680	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	108.2250	0.000	1	108.2250	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.3230	0.000	1	107.3230	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4270	0.068	2	108.4270	0.005	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9390	0.000	1	107.9390	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]CO)	109.2020	0.000	1	109.2242	0.189	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2317	0.532	3	109.2242	0.189	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.8887	0.405	3	109.8887	0.164	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.4677	0.798	4	107.4677	0.637	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.6170	0.000	1	109.6170	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	112.2870	0.000	1	112.2870	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.9035	0.108	2	108.9035	0.012	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.2255	1.685	2	107.2255	2.839	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5040	0.000	1	108.5040	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.2630	0.477	2	107.2630	0.227	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9274	0.882	9	107.9274	0.777	9	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5507	0.527	3	108.5507	0.277	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	106.6120	0.252	2	106.6120	0.063	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4554	1.210	19	109.4554	1.465	19	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHO){2|C<3>}	H(CC[6a]CO)	108.6450	0.095	2	108.6450	0.009	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6420	0.000	1	108.6420	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5900	0.000	1	107.5900	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3050	0.132	2	108.3050	0.017	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8597	0.356	3	107.8597	0.127	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	108.8540	0.000	1	108.8540	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|N<3>,1|O<2>}	H(CC[6a]CO)	108.5890	0.000	1	108.5890	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	106.9180	0.000	1	108.4037	1.140	50	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	107.4290	0.000	1	108.4037	1.140	50	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4549	1.058	48	108.4037	1.140	50	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	109.0940	0.000	1	109.0940	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3700	0.000	1	109.3700	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1857	0.482	4	109.1857	0.233	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	106.8965	1.637	2	106.8965	2.680	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	106.4453	0.247	3	106.4453	0.061	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2050	0.590	3	109.2050	0.349	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3042	1.271	5	108.3042	1.614	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3740	0.000	1	109.3740	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4150	0.000	1	108.4150	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8650	0.735	2	108.8650	0.541	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0820	0.000	1	109.0820	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCHO){1|O<2>,2|C<3>}	H(CC[6a]CO)	109.0970	0.000	1	109.0970	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5897	0.493	6	109.5897	0.243	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	107.4840	0.000	1	107.4840	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4585	0.240	2	109.4585	0.057	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3342	0.779	8	109.3342	0.607	8	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.1450	0.000	1	109.1450	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	108.1837	0.896	3	108.1837	0.802	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHO){1|C<4>,2|C<3>}	H(CC[6a]CO)	107.7750	0.257	2	107.7750	0.066	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.0970	0.000	1	109.0970	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	107.9630	0.000	1	107.9630	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2255	0.864	4	108.2255	0.746	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.3610	0.000	1	107.3610	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	107.1180	0.560	2	107.1180	0.314	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8425	0.731	4	108.8425	0.534	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.3313	1.381	3	107.3313	1.908	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4822	1.725	4	108.4822	2.975	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0290	0.000	1	109.0290	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	109.4490	0.000	1	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	110.4885	0.913	4	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CO)	108.5995	0.016	2	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CO)	108.8430	0.000	1	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.7887	1.758	30	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	108.5230	0.000	1	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	108.8140	0.000	1	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	H(CC[6a]CO)	107.6470	0.000	1	108.1973	3.030	41	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9055	0.078	2	108.9055	0.006	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6445	0.046	4	108.6445	0.002	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5200	0.252	2	109.5200	0.063	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4224	0.189	5	109.4224	0.036	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CO)	108.9497	0.718	3	109.1893	0.437	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){1|F<1>,1|H<1>,3|C<3>}	H(CC[6a]CO)	110.1370	0.000	1	109.1893	0.437	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	109.0750	0.242	2	109.1893	0.437	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8600	0.000	1	108.8600	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	107.0780	0.000	1	107.0780	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9781	0.553	18	108.9781	0.306	18	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	H(CC[6a]CO)	109.5820	0.000	1	109.5820	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.0240	0.000	1	109.0240	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.7315	0.957	4	107.7315	0.915	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1650	0.000	1	108.1650	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	H(CC[6a]CO)	107.8400	0.000	1	107.8400	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.2760	0.000	1	108.5225	1.129	125	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5165	1.065	124	108.5225	1.129	125	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	106.3370	0.000	1	106.3370	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1560	0.000	1	108.1560	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5005	0.999	4	109.5005	0.998	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0050	0.127	2	109.0050	0.016	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.5300	0.188	2	108.5300	0.035	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.8230	0.000	1	108.8290	0.490	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8300	0.767	6	108.8290	0.490	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.7340	0.000	1	108.7340	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	109.0580	0.916	2	109.0580	0.840	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.5254	0.588	5	108.6317	0.420	26	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7049	0.736	17	108.6317	0.420	26	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	108.4537	0.238	4	108.6317	0.420	26	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.5400	0.000	1	108.5400	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2357	0.979	4	108.2357	0.959	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5679	1.052	10	108.5679	1.106	10	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2155	0.118	2	108.2155	0.014	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CO)	108.4910	0.000	1	108.4910	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5740	0.000	1	108.5740	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6980	0.000	1	108.6980	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.6960	0.000	1	107.6960	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8950	0.000	1	108.8950	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7110	0.000	1	108.7110	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7527	0.353	3	108.7527	0.124	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0770	0.000	1	109.0770	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8840	0.000	1	108.8840	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9970	0.000	1	107.9970	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1370	0.000	1	109.1370	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1475	0.172	2	109.1475	0.030	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1902	1.296	4	108.1902	1.679	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8970	0.000	1	107.8970	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4885	0.285	2	109.4885	0.081	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.0270	0.000	1	107.0270	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5100	0.000	1	107.5100	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0890	0.000	1	108.0890	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	105.3053	3.480	3	105.3053	12.110	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.2440	0.000	1	108.2440	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.1813	1.171	3	107.1813	1.372	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7543	0.610	6	108.7543	0.373	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	106.5620	0.000	1	106.5620	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0497	0.424	3	108.0497	0.179	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]Cl)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4935	0.233	2	108.4935	0.054	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1110	0.000	1	109.1110	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1462	0.532	11	107.8854	1.073	12	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	105.0170	0.000	1	107.8854	1.073	12	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9060	0.000	1	108.9060	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9378	1.019	6	108.9378	1.039	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8950	0.000	1	108.8950	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0367	0.851	3	108.0367	0.724	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8470	0.000	1	108.8470	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.2490	0.000	1	109.2490	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3840	0.017	2	109.3840	0.000	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	108.9940	0.223	2	108.9940	0.050	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.6910	0.000	1	109.6910	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.0880	0.000	1	109.0880	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CO)	108.8380	0.000	1	108.8380	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.0673	0.485	4	108.1803	0.459	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	107.5600	0.000	1	108.1803	0.459	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	109.2530	0.000	1	108.1803	0.459	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CO)	106.0990	0.000	1	106.0990	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.6160	0.000	1	107.6160	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]CO)	107.2570	0.000	1	107.0970	0.051	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CO)	106.9370	0.000	1	107.0970	0.051	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3314	0.707	62	108.3314	0.500	62	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3170	0.000	1	108.3170	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3520	0.000	1	109.3520	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CO)	106.5902	3.462	6	106.5902	11.988	6	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6996	1.533	24	108.6827	2.260	25	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Br<1>,1|N<2>}	H(CC[6a]CO)	108.2780	0.000	1	108.6827	2.260	25	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7370	0.358	2	108.7370	0.128	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	113.9760	0.000	1	113.9760	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2230	0.695	3	109.1871	0.276	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	109.1602	0.477	4	109.1871	0.276	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.4802	0.187	4	108.4802	0.035	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	107.2310	0.000	1	107.2310	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8044	0.561	8	108.7939	0.276	9	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	108.7100	0.000	1	108.7939	0.276	9	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.4725	0.743	2	110.4725	0.552	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6380	0.000	1	108.6380	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0193	0.165	3	109.0193	0.027	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1470	0.051	2	108.1470	0.003	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]F)2(CCHO){1|C<3>,2|F<1>}	H(CC[6a]CO)	106.8670	0.925	4	106.8670	0.855	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3482	0.206	5	108.3482	0.042	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.9570	0.000	1	109.9570	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4630	0.000	1	109.4630	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8460	0.000	1	108.8460	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.5120	0.000	1	108.5120	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2150	0.000	1	109.2150	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5575	1.323	2	108.5575	1.750	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3007	0.112	3	109.3007	0.012	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8332	0.686	5	108.8332	0.470	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6240	0.000	1	108.6240	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(OPd)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OPd)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5144	0.874	5	108.5144	0.764	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9250	0.000	1	107.9250	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.5700	0.000	1	108.5700	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCHO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]CO)	109.4260	0.000	1	109.4260	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CCHO){1|H<1>,6|C<3>}	H(CC[6a]CO)	105.4810	0.000	1	105.4810	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	108.9790	0.294	2	108.9790	0.087	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.5410	0.014	2	109.5410	0.000	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.2510	0.000	1	108.2510	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	109.2180	0.000	1	109.6286	4.193	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.7313	2.349	4	109.6286	4.193	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2430	0.000	1	109.2430	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2673	0.618	7	109.2673	0.382	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OFe)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.1370	0.000	1	108.1370	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCHO){1|Si<4>,1|C<3>,1|H<1>}	H(CC[6a]CO)	108.7385	0.189	2	108.7385	0.036	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	108.3550	0.000	1	108.3550	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|C<4>,2|C<3>}	H(CC[6a]CO)	107.6100	0.000	1	108.4610	1.448	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.3120	0.000	1	108.4610	1.448	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|H<1>,3|C<3>}	H(CC[6a]CO)	108.4341	0.403	11	108.4341	0.163	11	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.1437	0.183	4	109.1437	0.034	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9280	0.000	1	108.9280	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]C)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.5623	0.258	4	107.5623	0.067	4	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0554	0.846	19	109.1842	0.829	21	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	H(CC[6a]CO)	110.4085	0.619	2	109.1842	0.829	21	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2607	1.237	6	109.2763	1.278	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	109.3700	0.000	1	109.2763	1.278	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(OP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	H(CC[6a]CO)	109.2540	0.000	1	109.2540	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.8810	0.402	2	107.8810	0.161	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4766	0.675	7	109.4766	0.456	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.0930	0.000	1	107.0930	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	108.4050	0.000	1	108.4050	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2817	0.858	7	109.2817	0.737	7	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CO)	109.2990	0.000	1	108.6945	1.031	39	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CO)	108.1850	0.000	1	108.6945	1.031	39	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.6446	0.915	27	108.6945	1.031	39	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|O<2>}	H(CC[6a]CO)	109.3760	0.697	8	108.6945	1.031	39	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){2|Cl<1>,1|C<3>}	H(CC[6a]CO)	106.5935	0.879	2	108.6945	1.031	39	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.0560	0.614	2	109.0560	0.377	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	109.0335	0.889	2	109.0335	0.790	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	110.2470	0.000	1	110.2470	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4611	0.654	8	109.4611	0.427	8	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.6690	0.000	1	108.6690	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2028	0.567	5	109.2028	0.322	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7315	0.187	2	108.7315	0.035	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.8720	0.000	1	108.8720	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHO){2|O<2>,3|C<3>}	H(CC[6a]CO)	108.5670	0.000	1	108.5670	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9540	0.000	1	108.9540	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9800	0.000	1	108.9800	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	106.2580	0.000	1	107.4295	2.745	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|N<2>,2|H<1>}	H(CC[6a]CO)	108.6010	0.000	1	107.4295	2.745	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7065	0.356	2	108.7065	0.127	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.0260	0.000	1	107.0260	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7730	0.000	1	108.7730	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4230	0.000	1	109.4230	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7320	0.206	2	108.7320	0.043	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.7046	0.818	5	109.7046	0.669	5	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2810	0.085	2	109.2810	0.007	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2360	0.000	2	109.2360	0.000	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9360	0.007	2	108.9360	0.000	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.4645	0.626	10	109.4645	0.392	10	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.9904	0.604	13	108.9904	0.365	13	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2495	0.009	2	109.2495	0.000	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2197	0.407	3	109.2197	0.166	3	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3395	0.361	2	109.3395	0.131	2	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3450	0.000	1	109.3450	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.7290	0.000	1	108.7290	0.000	1	108.6072	1.274	920	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.1820	0.147	2	108.1820	0.022	2	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHS){1|H<1>,2|C<3>}	H(CC[6a]CS)	106.5440	0.000	1	106.5440	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.3733	0.781	3	108.1796	0.429	5	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|H<1>,2|C<3>}	H(CC[6a]CS)	107.8890	0.462	2	108.1796	0.429	5	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.7880	0.430	2	108.7880	0.185	2	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.3975	0.692	2	106.3975	0.479	2	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.9070	0.158	2	108.9070	0.025	2	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.8210	0.000	1	106.8210	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.9300	0.000	1	107.9300	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.9680	0.000	1	107.9680	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.0250	0.000	1	108.0250	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(SC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CF3)(SC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHS){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CS)	107.6650	0.000	1	107.6650	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.2210	0.093	2	108.2210	0.009	2	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CH3)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.5768	0.225	4	108.5768	0.051	4	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(SRu)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CH3)(SRu)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.3340	0.288	3	108.3340	0.083	3	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHN)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	109.5180	0.000	1	109.5180	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHO)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.4450	0.000	1	108.4450	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHS)(SC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.6120	0.000	1	108.6120	0.000	1	108.1525	0.618	31	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C-4:Se-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(SeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeCH)	H(CC[6a]SeC)	C(C[6a]C[6a]2)(CH3)(SeC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSeCH){1|C<3>,2|H<1>}	H(CC[6a]SeC)	106.6557	1.075	6	106.6557	1.155	6	106.6557	1.155	6	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	108.8940	0.000	1	108.8940	0.000	1	108.2480	0.947	5	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[3]O)	107.0650	0.000	1	107.0650	0.000	1	108.2480	0.947	5	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CC[3]HO)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CC[3]HO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[3]O)	107.3200	0.000	1	107.3200	0.000	1	108.2480	0.947	5	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[3]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	108.9805	0.196	2	108.9805	0.038	2	108.2480	0.947	5	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[4]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	H(CC[6a]C[4]O)	C(C[6a]C[6a]2)(C[4]C[4]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	H(CC[6a]C[4]O)	108.0510	0.000	1	108.0510	0.000	1	108.7740	0.442	3	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[4]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	H(CC[6a]C[4]O)	C(C[6a]C[6a]2)(C[4]C[4]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	H(CC[6a]C[4]O)	109.1355	0.317	2	109.1355	0.101	2	108.7740	0.442	3	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[4]-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[4]HS)	H(CC[6a]C[4]S)	C(C[6a]C[6a]2)(C[4]C[4]2H)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[4]HS){1|C<3>,2|H<1>}	H(CC[6a]C[4]S)	108.3595	0.377	2	108.3595	0.142	2	108.3595	0.142	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]CH){2|H<1>,3|C<3>}	H(CC[6a]C[5]C)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.7010	0.000	1	107.7010	0.000	1	105.3265	11.277	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	102.9520	0.000	1	102.9520	0.000	1	105.3265	11.277	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO){2|H<1>,3|C<3>}	H(CC[6a]C[5]O)	107.4950	0.000	1	107.4950	0.000	1	108.1840	0.949	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HO){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]C[5]O)	108.8730	0.000	1	108.8730	0.000	1	108.1840	0.949	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.9922	0.864	4	107.9922	0.747	4	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.1543	1.273	7	108.1543	1.619	7	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.1073	0.269	3	109.1073	0.072	3	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.8455	0.098	2	106.8455	0.010	2	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]O)	108.0300	0.000	1	108.0300	0.000	1	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]O)	108.8910	0.000	1	108.8466	0.119	13	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.8429	0.360	12	108.8466	0.119	13	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]O)	110.8910	0.000	1	110.8910	0.000	1	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.9950	0.042	2	107.9950	0.002	2	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]O)	110.1240	0.000	1	110.1240	0.000	1	108.5324	0.988	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5750	0.000	1	106.5750	0.000	1	106.7733	0.309	6	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7807	0.782	3	106.7807	0.612	3	106.7733	0.309	6	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.4960	0.000	1	106.4960	0.000	1	106.7733	0.309	6	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.2270	0.000	1	107.2270	0.000	1	106.7733	0.309	6	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.6360	0.000	1	108.6360	0.000	1	108.8082	0.255	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]HO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C[6]O)	108.8215	0.523	13	108.8215	0.273	13	108.8082	0.255	14	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.7130	0.000	1	107.7130	0.000	1	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.8021	1.153	7	107.8021	1.330	7	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HO){1|H<1>,2|C<3>}	H(CC[6a]C[6]O)	103.8410	0.000	1	103.8410	0.000	1	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.9720	0.000	1	108.9720	0.000	1	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	109.0870	0.000	1	109.0870	0.000	1	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.2852	1.564	23	108.2852	2.446	23	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.1890	0.055	2	108.1890	0.003	2	108.0879	2.378	36	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	110.3710	0.000	1	110.3710	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	107.0700	0.000	1	107.0700	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	107.3610	0.000	1	107.3610	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	108.5480	0.598	2	108.5480	0.358	2	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	103.5090	0.000	1	103.5090	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	108.9970	0.000	1	108.9970	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	108.7575	0.316	2	108.7575	0.100	2	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	110.5980	0.000	1	110.5980	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	106.3860	0.000	1	106.3860	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	109.1710	0.035	2	109.1710	0.001	2	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	108.9285	1.302	2	108.9285	1.695	2	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]OP)	110.1400	0.000	1	110.1400	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	109.6073	0.511	3	109.6073	0.261	3	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	109.4210	0.000	1	109.4210	0.000	1	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	110.7937	2.071	3	110.7937	4.289	3	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]OP)	108.8460	0.000	1	109.2109	0.682	11	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	H(CC[6a]OP)	108.9532	0.455	8	109.2109	0.682	11	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	H(CC[6a]OP)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]OP)	110.4240	1.328	2	109.2109	0.682	11	109.0349	2.399	34	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P-4:Se-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CSeHP)	H(CC[6a]SeP)	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CSeHP){1|C<3>,2|H<1>}	H(CC[6a]SeP)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH)	H(CC[6a]P[6]C)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH){1|C<3>,2|H<1>}	H(CC[6a]P[6]C)	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO)	H(CC[6a]P[6]O)	C(C[6a]C[6a,6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CP[6]HO){2|H<1>,5|C<3>}	H(CC[6a]P[6]O)	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	H(CC[6a]P[6]O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	H(CC[6a]P[6]O)	109.7500	0.000	1	109.7500	0.000	1	109.0065	0.568	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO)	H(CC[6a]P[6]O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HO){1|C<3>,2|H<1>}	H(CC[6a]P[6]O)	108.5480	0.000	1	108.5480	0.000	1	109.0065	0.568	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:P[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO)	H(CC[6a]P[6]O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CP[6]HO){1|C<3>,2|H<1>}	H(CC[6a]P[6]O)	108.8640	0.949	2	108.8640	0.900	2	109.0065	0.568	4	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:S-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(SS)(H)	C[6a](C[6a]C[6a]H)2(CHSS)	H(CC[6a]SS)	C(C[6a]C[6a]2)(SC[6a]OO)(SS)(H)	C[6a](C[6a]C[6a]H)2(CHSS){1|C<3>,2|H<1>}	H(CC[6a]SS)	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:Si-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(SH)(H)	C[6a](C[6a]C[6a]H)2(CSiHS)	H(CC[6a]SiS)	C(C[6a]C[6a]2)(SiC[6a]2C)(SH)(H)	C[6a](C[6a]C[6a]H)2(CSiHS){1|C<3>,2|H<1>}	H(CC[6a]SiS)	107.2535	0.095	2	107.2535	0.009	2	107.2535	0.009	2	108.5307	1.401	1339	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	2:4:3:	4:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	O[6a]-2:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C)	H(CC[6a]2C[6])	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C){1|O<1>,2|C<3>}	H(CC[6a]2C[6])	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(CCCH){5|C<3>}	H(CC[6a]CC)	108.9885	0.002	2	108.9885	0.000	2	108.9885	0.000	2	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCCH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]CC)	107.6770	0.462	2	107.6770	0.214	2	107.6770	0.214	2	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3350	0.000	1	108.3350	0.000	1	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5500	0.000	1	106.5500	0.000	1	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CCHN){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]CN)	108.7410	0.000	1	108.7410	0.000	1	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9115	0.081	2	108.9115	0.007	2	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.1835	0.176	2	105.1835	0.031	2	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3640	0.000	1	107.3640	0.000	1	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:2:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5580	0.000	1	108.5580	0.000	1	107.5264	2.378	9	107.7745	1.897	13	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.8510	0.644	4	106.8510	0.415	4	106.8510	0.415	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C)	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BHHP)(COO)(H)	C[6a](C[6a]C[6a]H)2(CBCH)	H(CC[6a]BC)	C(C[6a]C[6a]2)(BHHP)(COO)(H)	C[6a](C[6a]C[6a]H)2(CBCH){1|C<3>,2|H<1>}	H(CC[6a]BC)	107.7040	0.000	1	107.7040	0.000	1	107.8500	0.043	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CBCH)	H(CC[6a]BC)	C(C[6a]C[6a]2)(BN[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CBCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]BC)	107.9960	0.000	1	107.9960	0.000	1	107.8500	0.043	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	107.1940	0.000	1	107.1940	0.000	1	107.0060	0.476	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	106.0090	0.000	1	106.0090	0.000	1	107.0060	0.476	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	107.2210	0.000	1	107.2210	0.000	1	107.0060	0.476	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	107.6000	0.000	1	107.6000	0.000	1	107.0060	0.476	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.9030	0.816	2	107.9030	0.666	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0090	0.144	2	108.0090	0.021	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6650	0.000	1	107.6650	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	105.3090	0.168	2	105.3090	0.028	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9110	0.000	1	106.9110	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.1702	0.549	6	106.1702	0.301	6	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.2370	0.000	1	107.4413	0.198	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5435	0.578	2	107.4413	0.198	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CC)	105.4320	0.000	1	105.4320	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8509	1.614	14	106.8509	2.606	14	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	105.6080	0.000	1	105.6080	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	103.7310	0.000	1	103.7310	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4623	0.221	7	107.4623	0.049	7	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9318	0.230	9	107.9318	0.053	9	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6715	0.127	2	107.6715	0.016	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	106.3825	0.305	2	106.3825	0.093	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH){1|C<3>,1|H<1>}	H(CC[6a]CC)	110.0230	0.000	1	110.0230	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.7890	0.484	2	105.7890	0.234	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5563	2.750	3	108.5563	7.561	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|O<2>,3|C<3>}	H(CC[6a]CC)	106.4160	0.000	1	106.4160	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6640	0.666	2	106.6640	0.444	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0080	0.000	1	107.0080	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5500	0.000	1	107.5500	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2073	0.187	4	107.2073	0.035	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.2580	0.000	1	105.2580	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CCCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CC)	105.7610	0.000	1	105.7610	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	108.1000	0.000	1	107.0157	0.899	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	106.6040	0.000	1	107.0157	0.899	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3430	0.000	1	107.0157	0.899	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2090	0.000	1	107.2090	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2322	1.118	6	107.2322	1.249	6	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2380	0.000	1	105.6700	4.917	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	104.1020	0.000	1	105.6700	4.917	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0745	0.562	2	108.0745	0.316	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4910	0.823	2	107.4910	0.677	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1160	0.587	11	108.1160	0.345	11	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]N)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7310	0.000	1	106.7310	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8750	0.235	2	107.8750	0.055	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>,2|N<2>}	H(CC[6a]CC)	108.3990	0.000	1	108.3990	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6754	0.697	30	107.6754	0.486	30	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]N)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7310	0.003	2	106.7310	0.000	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]O)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0320	0.000	1	107.0320	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.7180	0.000	1	108.7180	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8610	0.000	1	107.8610	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.7010	0.000	1	107.0430	0.234	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3850	0.000	1	107.0430	0.234	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9090	0.000	1	106.9090	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1895	0.172	2	108.1895	0.030	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2180	0.000	1	108.2180	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7167	0.440	7	107.7167	0.194	7	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1020	0.000	1	108.1020	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3655	0.870	4	107.3655	0.757	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.0180	0.000	1	107.1670	0.222	6	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1968	0.521	5	107.1670	0.222	6	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.7655	0.445	2	108.7655	0.198	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8905	0.121	2	107.8905	0.015	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.2000	0.000	1	108.2000	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3200	0.000	1	107.3200	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CF)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3790	0.482	2	107.3790	0.233	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5230	0.000	1	107.5230	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7350	0.611	2	107.7350	0.373	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4680	0.000	1	107.4680	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5270	0.000	1	107.5270	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7660	0.000	1	107.7660	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7480	0.000	1	106.7480	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3570	0.000	1	106.3570	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5940	0.000	1	107.5940	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.7060	0.000	1	108.7060	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|Br<1>,1|C<3>,1|O<2>}	H(CC[6a]CC)	106.2710	0.000	1	106.2710	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.1810	0.725	2	109.1810	0.526	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9605	0.316	2	107.9605	0.100	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	104.6500	0.020	2	104.6500	0.000	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.2700	0.000	1	109.2700	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	107.4710	0.000	1	106.8433	0.297	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	106.5295	0.062	2	106.8433	0.297	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4760	0.000	1	107.4760	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6837	0.525	3	106.6837	0.276	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1140	0.000	1	107.1140	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0053	0.202	3	108.0053	0.041	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0350	0.091	2	108.0350	0.008	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3380	0.000	1	108.3380	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.6107	0.773	3	108.6107	0.597	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5920	0.000	1	108.5920	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7250	0.000	1	107.7250	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.0190	0.000	1	109.0190	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3857	0.447	10	108.3857	0.200	10	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5910	0.000	1	107.5910	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.9630	0.000	1	104.9630	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5843	1.113	7	106.5843	1.239	7	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3303	1.261	3	106.3303	1.590	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6313	0.419	3	107.6313	0.175	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3790	0.000	1	106.3790	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9120	0.000	1	106.9120	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.5080	0.000	1	105.5080	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.4880	0.000	1	107.4880	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.4440	0.000	1	108.4440	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]CC)	107.4030	0.000	1	107.0330	2.422	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]CC)	106.8480	2.154	2	107.0330	2.422	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3407	0.548	3	108.3407	0.301	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6660	0.044	2	106.6660	0.002	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4870	1.065	6	107.4870	1.133	6	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.7765	5.803	2	105.7765	33.677	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4010	0.000	1	107.4010	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.7000	0.000	1	108.7000	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.4710	0.000	1	108.4710	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1110	0.000	1	107.1110	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7945	1.180	2	106.7945	1.393	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2270	0.000	2	108.2270	0.000	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.6240	0.000	1	108.6240	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.9130	0.000	1	107.4825	0.371	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0520	0.000	1	107.4825	0.371	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	107.7340	0.000	1	107.7340	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1200	0.000	1	108.1200	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.7930	0.000	1	105.7930	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9560	0.000	1	106.9560	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0300	0.000	1	107.0300	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3670	0.084	4	106.3670	0.007	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7760	0.000	1	107.7760	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1110	0.000	1	107.1110	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3037	2.773	6	109.2436	30.674	9	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	113.1233	8.343	3	109.2436	30.674	9	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	96.0101	4.769	2	96.0101	22.742	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.8970	3.624	3	107.7878	8.802	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.4600	0.000	1	107.7878	8.802	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	106.5990	0.000	1	106.5990	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.9214	0.662	10	107.9214	0.438	10	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.7830	0.000	1	107.7830	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8860	0.000	1	107.0350	0.044	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.1840	0.000	1	107.0350	0.044	2	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	109.1276	0.246	9	108.5147	0.356	35	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.9550	0.000	1	108.5147	0.356	35	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3047	0.560	23	108.5147	0.356	35	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	108.4520	0.146	2	108.5147	0.356	35	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.2903	0.570	3	107.2903	0.325	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCCH){3|C<3>}	H(CC[6a]CC)	106.9200	0.000	1	106.9200	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5446	1.362	49	107.5446	1.855	49	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	106.6707	3.563	7	107.8046	2.408	58	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CC)	107.7570	0.000	1	107.8046	2.408	58	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.9450	0.000	1	107.8046	2.408	58	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0565	0.941	37	107.8046	2.408	58	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6818	1.266	12	107.8046	2.408	58	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0527	1.148	3	108.0527	1.319	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2357	0.634	3	108.2357	0.403	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9650	0.000	1	107.9650	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8110	0.393	4	107.8110	0.154	4	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0800	0.000	1	108.0800	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7100	0.000	1	107.7100	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]CC)	108.5730	0.000	1	108.5423	0.013	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5270	0.160	2	108.5423	0.013	3	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3740	0.000	1	107.3740	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	109.5970	0.000	1	109.5970	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5530	0.000	1	107.5530	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	111.9570	0.000	1	111.9570	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPdCH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPdCH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.9340	0.000	1	105.9340	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7400	0.000	1	106.7400	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3570	0.000	1	108.3570	0.000	1	107.5712	2.689	473	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHN){2|H<1>,5|C<3>}	H(CC[6a]CN)	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.6200	0.000	1	107.6200	0.000	1	107.3649	0.633	53	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.8766	0.745	21	106.8766	0.555	21	107.3649	0.633	53	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.7853	0.379	29	107.7853	0.144	29	107.3649	0.633	53	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.8820	0.000	1	107.8820	0.000	1	107.3649	0.633	53	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	104.6560	0.000	1	104.6560	0.000	1	107.3649	0.633	53	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8595	0.265	4	106.8595	0.070	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3040	0.000	1	107.3040	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4840	0.000	1	107.4840	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3236	1.063	5	107.3236	1.130	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.9030	0.000	1	105.9030	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2930	0.372	3	108.2930	0.138	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.1390	0.000	1	104.1390	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2850	0.665	3	106.2850	0.442	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.7980	0.000	1	105.7980	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	109.6530	0.000	1	109.6530	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0650	0.000	1	108.0650	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1080	0.000	1	107.1080	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9910	0.000	1	106.9910	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5342	1.167	5	106.5342	1.362	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5271	0.773	42	107.5271	0.598	42	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6645	0.552	2	106.6645	0.305	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.9635	0.134	2	105.9635	0.018	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.8280	0.000	1	105.8280	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.1430	0.000	1	106.1430	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.7065	0.672	2	105.7065	0.452	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.5210	0.000	1	109.5210	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4565	0.125	2	107.4565	0.016	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1290	0.000	1	108.1290	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	107.4590	0.170	2	108.4923	3.218	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.5590	0.000	1	108.4923	3.218	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0821	0.983	17	108.0821	0.967	17	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1055	0.592	2	107.1055	0.350	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0500	0.000	1	108.0500	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	107.4010	0.000	1	107.4840	0.014	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5670	0.000	1	107.4840	0.014	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9730	0.000	1	106.9730	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6540	0.000	1	106.6540	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4070	0.000	1	107.4070	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7975	0.111	2	106.7975	0.012	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.8460	0.000	1	108.8460	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4360	0.000	1	106.4360	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5564	1.259	5	107.5564	1.586	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.2315	0.479	2	105.2315	0.229	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	H(CC[6a]CN)	105.7980	0.000	1	105.7980	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9460	0.000	1	107.9460	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7218	1.596	4	106.9722	4.719	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|N<2>,2|H<1>}	H(CC[6a]CN)	103.9740	0.000	1	106.9722	4.719	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	108.3420	0.000	1	108.3420	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.9100	0.000	1	107.9100	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	109.0140	0.000	1	109.0140	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|F<1>}	H(CC[6a]CN)	106.8940	0.000	1	108.0154	0.457	34	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0511	0.667	32	108.0154	0.457	34	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.9950	0.000	1	108.0154	0.457	34	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CN)	108.7580	0.000	1	108.7580	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3823	0.525	3	107.3823	0.276	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0100	0.161	2	107.0100	0.026	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4303	0.728	3	106.4303	0.530	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3740	0.000	1	107.3740	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3490	0.000	1	109.3490	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6930	0.000	1	106.6930	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3630	0.000	1	108.3630	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3070	0.000	1	109.3070	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0887	1.371	3	107.0887	1.879	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.9790	0.000	1	108.9790	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0740	0.000	1	108.0740	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8805	0.998	2	107.8805	0.995	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHN){1|C<3>,1|H<1>}	H(CC[6a]CN)	109.0490	0.344	2	109.0490	0.118	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CN)	107.6875	0.094	2	107.5661	2.072	13	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5440	1.576	11	107.5661	2.072	13	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1270	0.000	1	107.1270	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8330	0.813	2	107.8330	0.661	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.3503	1.494	3	105.3503	2.232	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2466	0.928	10	108.2466	0.862	10	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C[6a](C[6a]C[6a]O)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5960	0.000	1	107.5960	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.0750	0.000	1	109.0750	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6335	0.016	2	107.6335	0.000	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6584	0.999	11	107.6584	0.997	11	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1863	0.467	4	108.1863	0.219	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3854	1.314	9	107.3854	1.725	9	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.3030	0.018	2	104.3030	0.000	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0505	0.034	4	106.0505	0.001	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6960	0.409	2	106.6960	0.167	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4712	1.803	4	108.4712	3.252	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.0040	0.000	1	107.0040	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4700	0.000	1	107.4700	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5770	0.000	1	106.5770	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.8435	1.247	2	105.8435	1.554	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8660	1.334	2	107.8660	1.778	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8220	0.000	1	107.8220	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2730	0.000	1	108.2730	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6660	0.000	1	107.6660	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5290	0.000	1	108.5290	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	108.1100	0.000	1	108.3575	0.123	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6050	0.000	1	108.3575	0.123	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6220	0.000	1	106.6220	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.8710	0.000	1	109.8710	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0660	0.000	1	108.0660	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.5430	0.000	1	109.5430	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5290	0.000	1	106.5290	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9010	0.170	2	107.9010	0.029	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9170	0.000	1	106.9170	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0828	0.598	4	108.0828	0.358	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2790	0.000	1	107.2790	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7750	0.000	1	107.7750	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7675	0.218	2	107.7675	0.048	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9274	0.714	8	107.9274	0.509	8	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8020	0.000	1	107.8020	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6435	0.446	2	106.6435	0.199	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9030	0.000	1	106.9030	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4770	0.000	1	107.4770	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9345	0.330	2	106.9345	0.109	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9480	0.000	1	106.9480	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1990	0.000	1	108.1990	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0080	0.134	2	108.0080	0.018	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2875	2.163	2	107.2875	4.679	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]2)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]2)2(CCHN){2|H<1>,5|C<3>}	H(CC[6a]CN)	106.3070	0.000	1	106.3070	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1090	0.000	1	109.1090	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7583	0.550	3	108.7583	0.302	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.1500	0.000	1	106.1500	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3720	0.000	1	109.3720	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8680	0.000	1	107.8680	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8030	0.000	1	107.8030	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0925	0.021	2	106.0925	0.000	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7930	0.000	1	107.7930	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.6770	0.000	1	107.6427	0.458	20	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2324	0.843	5	107.6427	0.458	20	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.7868	0.603	14	107.6427	0.458	20	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3147	1.088	13	107.3147	1.184	13	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.3630	3.273	3	104.3630	10.709	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5587	2.762	3	108.5587	7.631	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1380	0.563	3	109.1380	0.317	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.0230	0.000	1	109.0230	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3530	0.000	1	108.3530	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8830	0.041	2	107.8830	0.002	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7380	1.257	2	108.7380	1.581	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9210	0.000	1	107.9210	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6915	0.550	6	107.6915	0.302	6	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.9137	1.624	4	105.9137	2.637	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.3750	0.448	4	109.3750	0.201	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8150	0.555	6	106.8150	0.308	6	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2924	0.492	21	107.2924	0.242	21	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7147	0.749	7	107.7147	0.561	7	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.1560	0.000	1	106.1560	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0507	3.391	6	106.0507	11.501	6	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5432	0.592	6	108.5432	0.351	6	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.9115	0.518	2	110.9115	0.269	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3875	0.656	4	108.3875	0.430	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9597	0.848	4	107.9597	0.718	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6185	1.118	13	107.6185	1.251	13	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.0545	0.289	2	104.0545	0.084	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0755	0.108	2	108.0755	0.012	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1980	0.038	2	109.1980	0.001	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3490	0.000	1	108.3490	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5256	0.465	5	108.5256	0.216	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6090	0.000	1	106.6090	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9385	0.162	2	106.9385	0.026	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9910	0.074	2	107.9910	0.005	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6060	0.000	1	108.6060	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1495	0.964	2	108.1495	0.929	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1260	0.000	1	108.1260	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1020	0.000	1	108.1020	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0290	0.000	1	108.0290	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0300	0.000	1	108.0300	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0670	0.000	1	106.0670	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6025	0.052	2	107.6025	0.003	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8270	0.000	1	107.8270	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.7915	0.340	2	106.7915	0.116	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	107.4970	0.000	1	107.4970	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1520	0.000	2	107.1520	0.000	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7930	0.000	1	108.7930	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8560	0.000	1	106.8560	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.0385	2.483	2	109.0385	6.164	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.4520	0.000	1	105.4520	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1730	0.000	1	108.1730	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	108.4370	0.000	1	108.4370	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	106.4570	0.000	1	106.4570	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.5942	1.350	85	106.5942	1.823	85	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CN)	106.6590	0.000	1	106.6590	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4210	0.000	1	106.4210	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.9760	0.000	1	107.9760	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.7164	1.074	14	107.7164	1.154	14	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	H(CC[6a]CN)	107.9472	0.342	4	107.9472	0.117	4	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7550	0.000	1	108.7550	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8577	1.341	3	108.2732	1.244	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.6940	0.000	1	108.2732	1.244	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){2|Cl<1>,1|C<3>}	H(CC[6a]CN)	109.0990	0.000	1	108.2732	1.244	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|C<4>}	H(CC[6a]CN)	107.8820	0.000	1	107.8943	0.478	233	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8944	0.693	232	107.8943	0.478	233	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]C)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	111.5607	4.757	8	111.5607	22.634	8	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0650	0.000	1	108.0650	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0915	1.579	2	106.0915	2.493	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0840	0.808	25	106.0840	0.653	25	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3090	0.000	1	107.3090	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NCY)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCY)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4483	0.704	14	108.4483	0.496	14	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	H(CC[6a]CN)	108.4560	0.000	1	108.4560	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6607	0.551	3	107.6607	0.304	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6364	1.017	32	107.6364	1.034	32	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.0540	0.000	1	107.0540	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	103.8627	7.408	2	103.8627	54.881	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.0250	0.000	1	108.0250	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9646	0.641	5	107.9646	0.411	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0056	0.652	5	106.0056	0.425	5	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.8820	0.000	1	105.8820	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6645	0.326	2	108.6645	0.106	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.2690	0.000	1	109.2690	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.0500	0.000	1	108.0500	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3290	0.578	2	108.3290	0.335	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2750	0.000	1	107.2750	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4313	0.651	7	106.6680	0.812	8	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|O<2>}	H(CC[6a]CN)	108.3250	0.000	1	106.6680	0.812	8	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7814	0.619	20	107.7814	0.383	20	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7175	0.452	2	107.7175	0.204	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.8090	3.028	3	105.8090	9.167	3	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0393	0.437	22	108.0393	0.191	22	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9983	0.383	35	107.9983	0.147	35	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.1680	0.000	1	110.1680	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8440	0.000	1	106.8440	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.9330	0.000	1	106.9330	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.2735	0.298	2	107.2735	0.089	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6440	0.000	1	108.6440	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CIrHH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CIrHH)(NCP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7880	0.000	1	107.7880	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8320	0.000	1	106.8320	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8120	0.000	1	107.8120	0.000	1	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CRhCH)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8810	1.229	2	107.8810	1.510	2	107.5813	1.687	1049	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.0568	2.366	5	107.0568	5.598	5	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	104.2561	5.050	6	104.2561	25.500	6	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	108.3840	0.216	2	108.3840	0.047	2	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.2530	0.000	1	109.2530	0.000	1	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.3590	0.000	1	109.3590	0.000	1	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5300	0.000	1	109.5300	0.000	1	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	108.6695	1.730	2	108.6695	2.994	2	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CO)	107.5750	1.430	2	107.5750	2.044	2	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.3850	0.185	2	107.3850	0.034	2	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	111.1060	0.000	1	111.1060	0.000	1	107.1346	11.093	23	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.6490	0.000	1	107.6490	0.000	1	107.2420	0.331	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C[6a](C[6a]C[6a]C)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C[6a](C[6a]C[6a]C)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.8350	0.000	1	106.8350	0.000	1	107.2420	0.331	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C[6a](C[6a]C[6a]H)2(CCHS){3|C<3>}	H(CC[6a]CS)	108.7353	0.315	4	108.7353	0.099	4	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	105.8400	0.320	4	105.8400	0.102	4	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.3660	0.000	1	106.3660	0.000	1	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2S)(SC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]2S)(SC[6a]Pt)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.6430	0.000	1	106.6430	0.000	1	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.1730	0.000	1	106.1730	0.000	1	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.8620	0.000	1	107.8620	0.000	1	107.1121	1.803	12	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[3]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	H(CC[6a]C[3]N)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	H(CC[6a]C[3]N)	108.0873	0.229	3	108.0873	0.052	3	108.0873	0.052	3	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[4]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH)	H(CC[6a]C[4]C)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH){1|C<3>,2|H<1>}	H(CC[6a]C[4]C)	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.7850	0.000	1	105.7850	0.000	1	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.2855	0.182	2	106.2855	0.033	2	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3540	1.850	2	107.3540	3.422	2	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.9320	1.151	2	107.9320	1.325	2	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]C)	108.2200	0.000	1	108.0800	0.039	2	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	107.9400	0.000	1	108.0800	0.039	2	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4883	0.821	3	106.4883	0.675	3	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.8180	0.000	1	105.8180	0.000	1	106.9516	1.262	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HN){2|H<1>,3|C<3>}	H(CC[6a]C[5]N)	107.8743	0.505	3	107.8743	0.255	3	107.8743	0.255	3	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.9490	0.000	1	106.9490	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.0540	0.000	1	107.0540	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.8663	8.596	11	106.8663	73.894	11	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5]N)	108.9670	2.498	2	107.7675	4.151	4	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.5680	0.677	2	107.7675	4.151	4	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HN){1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	106.9130	0.000	1	106.9130	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[5]HN){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.2600	0.382	2	106.2600	0.146	2	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.9157	0.923	3	106.9157	0.853	3	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.6440	0.000	1	107.6440	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	108.1460	0.000	1	108.1460	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.7615	0.486	2	107.7615	0.236	2	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.4140	0.000	1	107.4140	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.1390	0.000	1	107.1390	0.000	1	107.1258	27.135	29	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7647	0.489	3	106.7647	0.239	3	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	104.9310	0.000	1	104.9310	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	108.3470	0.000	1	108.3470	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|Cl<1>,1|C<3>,1|S<2>}	H(CC[6a]C[6]C)	108.9450	0.000	1	108.9450	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	109.1650	0.027	2	109.1650	0.001	2	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.6400	1.085	4	107.6400	1.178	4	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.3220	0.000	1	106.3220	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.0240	1.276	2	106.0240	1.627	2	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2S)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.4290	0.000	1	106.4290	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	108.4280	0.000	1	108.4280	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]S[6]2C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.2160	0.000	1	106.2160	0.000	1	107.2694	1.808	18	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.5140	0.000	1	107.5140	0.000	1	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.1830	0.000	1	107.1830	0.000	1	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]N)	108.9610	0.000	1	108.6815	0.156	2	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.4020	0.000	1	108.6815	0.156	2	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HN){1|H<1>,2|C<3>}	H(CC[6a]C[6]N)	108.3360	0.000	1	108.3360	0.000	1	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.6590	0.000	1	106.6590	0.000	1	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.8230	0.530	4	108.1212	0.656	5	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]N)	109.3140	0.000	1	108.1212	0.656	5	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.8637	0.826	8	107.8637	0.682	8	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.6850	0.304	2	106.6850	0.092	2	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6a]C[6a]2)(C[6]S[6]2H)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.6210	0.000	1	107.6210	0.000	1	107.7983	0.682	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H)	H(CC[6a]C[6]N[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]N[6]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]N[6])	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CC[6a]CN)	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CN)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.8440	0.000	1	107.8440	0.000	1	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4050	0.000	1	108.4050	0.000	1	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4710	0.379	2	108.4710	0.144	2	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CN)	107.5120	0.000	1	107.5120	0.000	1	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuHH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8260	0.525	2	107.8260	0.275	2	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3490	1.218	2	108.3490	1.483	2	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6140	0.000	1	107.6140	0.000	1	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6230	0.000	1	108.6230	0.000	1	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NH3)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.7188	1.364	14	108.7188	1.862	14	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdHH)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4915	1.327	2	107.4915	1.762	2	108.3828	1.283	27	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]CP)	106.0230	0.000	1	106.0230	0.000	1	106.0230	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pd)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP){2|H<1>,3|C<3>}	H(CC[6a]CP)	105.3930	0.000	1	105.3930	0.000	1	105.3930	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	104.4490	0.000	1	104.4490	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	104.7105	0.452	4	104.7105	0.204	4	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	103.4790	0.000	1	103.4790	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.8750	0.000	1	106.8750	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	108.5950	0.000	1	108.5950	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.0530	0.000	1	107.0530	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.0460	0.000	1	106.0460	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.3610	0.269	2	106.3610	0.072	2	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PO3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CP)	107.3780	0.000	1	107.3780	0.000	1	105.8030	2.197	13	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.0410	0.000	1	108.0410	0.000	1	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.7480	0.000	1	107.7480	0.000	1	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.4410	0.643	2	107.4410	0.414	2	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.7210	0.000	1	108.7210	0.000	1	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.3880	0.000	1	108.3880	0.000	1	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	105.4800	0.000	1	105.4800	0.000	1	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.2622	0.223	4	107.2622	0.050	4	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	107.1117	0.500	9	107.1117	0.250	9	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]NP)	107.6880	0.262	2	107.6880	0.068	2	107.3495	0.500	22	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HP)	H(CC[6a]N[5]P)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5]HP){1|C<3>,2|H<1>}	H(CC[6a]N[5]P)	107.6555	0.793	2	107.6555	0.628	2	107.6555	0.628	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH)	H(CC[6a]P[6]C)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH){1|C<3>,2|H<1>}	H(CC[6a]P[6]C)	106.8920	0.478	2	106.8920	0.228	2	106.8920	0.228	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN)	H(CC[6a]P[6]N)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CP[6]HN){1|C<3>,2|H<1>}	H(CC[6a]P[6]N)	106.1620	0.000	1	106.1620	0.000	1	107.1510	1.956	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN)	H(CC[6a]P[6]N)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CP[6]HN){1|C<3>,2|H<1>}	H(CC[6a]P[6]N)	108.1400	0.000	1	108.1400	0.000	1	107.1510	1.956	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SCOO)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	106.0240	0.000	1	106.0240	0.000	1	108.2776	2.042	10	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SCOO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.1180	0.494	4	108.1180	0.244	4	108.2776	2.042	10	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.1243	0.170	4	108.1243	0.029	4	108.2776	2.042	10	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	111.7830	0.000	1	111.7830	0.000	1	108.2776	2.042	10	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:S-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS)	H(CC[6a]NS)	C(C[6a]C[6a]2)(SC[6a]OO)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]NS)	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC3)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.6640	0.000	1	106.6640	0.000	1	107.6950	2.126	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	108.7260	0.000	1	108.7260	0.000	1	107.6950	2.126	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH)	H(CC[6a]C[6]Si)	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]SiH){1|C<3>,2|H<1>}	H(CC[6a]C[6]Si)	105.0430	0.192	2	105.0430	0.037	2	105.0430	0.037	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	H(CC[6a]SiN)	C(C[6a]C[6a]2)(SiC3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	H(CC[6a]SiN)	106.9490	0.000	1	106.9490	0.000	1	107.2673	0.391	6	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	H(CC[6a]SiN)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]SiN)	106.6010	0.000	1	106.6010	0.000	1	107.2673	0.391	6	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN)	H(CC[6a]SiN)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CSiHN){1|C<3>,2|H<1>}	H(CC[6a]SiN)	107.5135	0.623	4	107.5135	0.389	4	107.2673	0.391	6	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:Si-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]2C)(SFe2)(H)	C[6a](C[6a]C[6a]H)2(CSiHS)	H(CC[6a]SiS)	C(C[6a]C[6a]2)(SiC[6a]2C)(SFe2)(H)	C[6a](C[6a]C[6a]H)2(CSiHS){1|C<3>,2|H<1>}	H(CC[6a]SiS)	105.1745	0.816	4	105.1745	0.666	4	105.1745	0.666	4	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:3:4:	4:	N[5a]-3:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5a]C)	108.2580	1.024	2	108.2580	1.048	2	108.2580	1.048	2	107.5391	2.428	1814	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:4:2:	4:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C-4:N[6a]-2:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a])	H(CC[6a]2C[5])	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6a]C[5]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	H(CC[6a]2C[5])	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	106.8010	0.033	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:4:2:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[6a]-3:C-4:N[6a]-2:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a])	H(CC[6a]C[5]P[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[6a]C[5]P[5])	106.6730	0.000	1	106.6730	0.000	1	106.6730	0.000	1	106.8010	0.033	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H)	H(CC[6a]2C[5])	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(CC[6a]C[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>}	H(CC[6a]2C[5])	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[3]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[3])	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[3])	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	106.4234	0.541	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	106.2770	0.000	1	106.2770	0.000	1	106.7053	0.583	3	106.4234	0.541	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]C[6a]C[5])	106.2520	0.000	1	106.2520	0.000	1	106.7053	0.583	3	106.4234	0.541	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	107.5870	0.000	1	107.5870	0.000	1	106.7053	0.583	3	106.4234	0.541	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	106.4234	0.541	5	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|Cl<1>,2|C<3>}	H(CC[6a]CC)	107.8440	0.000	1	107.8440	0.000	1	106.3080	2.791	6	106.3080	2.791	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	105.9475	1.667	2	105.9475	2.778	2	106.3080	2.791	6	106.3080	2.791	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.9700	0.000	1	107.9700	0.000	1	106.3080	2.791	6	106.3080	2.791	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]CC)	105.0695	1.651	2	105.0695	2.726	2	106.3080	2.791	6	106.3080	2.791	6	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CC)	106.5530	0.000	1	106.5530	0.000	1	107.1392	0.587	5	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]CC)	107.8700	0.000	1	107.8700	0.000	1	107.1392	0.587	5	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CC)	107.2700	0.000	1	107.2700	0.000	1	107.1392	0.587	5	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	H(CC[6a]CC)	107.0015	1.190	2	107.0015	1.416	2	107.1392	0.587	5	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	104.8250	0.000	1	104.8250	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	108.9870	0.000	1	108.3753	0.311	3	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0695	0.245	2	108.3753	0.311	3	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5600	0.000	1	107.5600	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2370	0.000	1	108.2370	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2810	0.092	2	108.2810	0.008	2	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CCCH){1|N<2>,2|H<1>}	H(CC[6a]CC)	107.9130	0.000	1	107.9130	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5960	0.000	1	106.5960	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5780	0.000	1	107.5780	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCCH){1|O<2>,4|C<3>}	H(CC[6a]CC)	107.7680	0.000	1	107.7680	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CC)	108.3175	0.152	2	108.2882	0.223	6	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]CC)	108.2735	0.602	4	108.2882	0.223	6	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6640	0.000	1	107.6640	0.000	1	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>}	H(CC[6a]CC)	108.5705	0.203	2	108.5705	0.041	2	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(CCCH){1|C<3>}	H(CC[6a]CC)	108.0735	0.052	2	108.0735	0.003	2	107.9498	0.733	23	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]O[6a])(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCH){1|O<1>,4|C<3>}	H(CC[6a]CC)	107.7170	0.000	1	107.7170	0.000	1	107.5500	0.060	3	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[6a]C[6a]O[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]O[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCCH){1|N<3>,2|O<1>}	H(CC[6a]CC)	107.4665	0.278	2	107.4665	0.077	2	107.5500	0.060	3	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	H(CC[6a]CC)	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	106.9180	0.000	1	106.9180	0.000	1	107.1625	0.120	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]N[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	H(CC[6a]CC)	C(C[6a]N[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]CC)	107.4070	0.000	1	107.4070	0.000	1	107.1625	0.120	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3775	0.050	2	107.3775	0.003	2	107.7860	0.502	3	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6030	0.000	1	108.6030	0.000	1	107.7860	0.502	3	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0050	0.838	5	107.0050	0.702	5	107.0050	0.702	5	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.9345	0.213	2	107.9345	0.045	2	107.9345	0.045	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:Ge-4:P-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	H(CC[6a]GeP)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]GeP)	102.6065	0.484	2	102.6065	0.235	2	102.6065	0.235	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.6800	0.000	1	106.6800	0.000	1	105.6675	2.050	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	104.6550	0.000	1	104.6550	0.000	1	105.6675	2.050	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]N[6a])(PC[6a]2Fe)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,2|H<1>}	H(CC[6a]PP)	105.3140	0.000	1	105.3140	0.000	1	105.0410	0.149	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PMnCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]N[6a])(PMnCC)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHPP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]PP)	104.7680	0.000	1	104.7680	0.000	1	105.0410	0.149	2	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:2:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]N[6a])(SiC3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSi2H){1|C<3>,2|H<1>}	H(CC[6a]Si2)	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	107.2807	1.962	51	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(CBCH)	H(CC[6a]BC)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(CBCH){1|C<3>,2|F<1>}	H(CC[6a]BC)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CBCH)	H(CC[6a]BC)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CBCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]BC)	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CC)	106.9755	0.765	4	106.9755	0.585	4	107.1288	0.557	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.7420	0.000	1	107.7420	0.000	1	107.1288	0.557	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CC[6a]CC)	105.7308	0.232	4	105.7308	0.054	4	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	106.5050	0.127	2	106.5050	0.016	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]CC)	107.6120	0.000	1	107.6120	0.000	1	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.7300	0.000	1	107.7300	0.000	1	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.7165	0.203	2	107.7165	0.041	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]CC)	106.9900	1.249	4	106.9900	1.561	4	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]CC)	107.6840	0.000	1	101.0063	89.182	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]CC)	94.3287	0.000	1	101.0063	89.182	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH){1|Au<2>,1|C<3>,4|C<4>}	H(CC[6a]CC)	107.8920	0.000	1	107.8920	0.000	1	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Rh<3>,2|C<3>,3|C<4>}	H(CC[6a]CC)	107.5960	0.000	1	107.5690	0.001	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CC)	107.5420	0.000	1	107.5690	0.001	2	106.3006	9.275	19	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,1|S<2>,3|C<3>}	H(CC[6a]CC)	106.3510	0.000	1	106.3510	0.000	1	106.5683	0.060	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,3|C<3>}	H(CC[6a]CC)	106.6770	0.222	2	106.6770	0.049	2	106.5683	0.060	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	H(CC[6a]CC)	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.7790	0.048	2	107.7790	0.002	2	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.8280	0.000	1	107.8280	0.000	1	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]CC)	107.5917	2.317	6	107.2420	3.203	10	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|O<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	106.7175	0.219	4	107.2420	3.203	10	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CC)	107.8960	0.038	2	107.7867	0.037	3	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.5680	0.000	1	107.7867	0.037	3	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7820	0.000	1	107.7820	0.000	1	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.6600	0.000	1	107.6190	0.341	3	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5985	0.824	2	107.6190	0.341	3	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CC)	107.8973	0.127	3	107.7262	0.097	9	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]CC)	107.5150	0.182	2	107.7262	0.097	9	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ni<5>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.9545	0.457	2	107.7262	0.097	9	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|Zn<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.4525	0.269	2	107.7262	0.097	9	107.5635	1.143	29	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	107.7115	0.431	2	107.7115	0.185	2	107.7115	0.185	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.3671	0.366	7	107.3671	0.134	7	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	105.5555	0.163	2	105.5555	0.027	2	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	108.2270	0.000	1	108.2270	0.000	1	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]CC)	105.4080	0.000	1	105.7695	0.261	2	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]CC)	106.1310	0.000	1	105.7695	0.261	2	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.6090	0.000	1	107.5125	0.045	6	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]CC)	107.2600	0.000	1	107.5125	0.045	6	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	107.5515	0.220	4	107.5125	0.045	6	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	107.2835	0.534	4	107.2835	0.285	4	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,3|C<3>}	H(CC[6a]CC)	108.1725	0.749	6	108.1725	0.561	6	107.3461	0.793	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.4260	0.000	1	107.4260	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CC)	107.3070	0.000	1	107.3070	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3480	0.000	1	107.3480	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	106.7280	0.000	1	106.7280	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4930	0.000	1	107.4930	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	106.5840	0.000	1	106.5840	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	108.2470	0.000	1	108.2470	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.4220	0.000	1	106.4220	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7870	0.000	1	107.7870	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.0440	0.000	1	104.0440	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3380	0.000	1	107.3380	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	106.0708	0.842	11	106.9805	1.196	32	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4797	0.915	20	106.9805	1.196	32	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|O<2>}	H(CC[6a]CC)	107.0010	0.000	1	106.9805	1.196	32	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	106.4750	0.000	1	106.4750	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1860	0.000	1	107.1860	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3390	0.573	2	107.3390	0.328	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5033	3.181	6	107.5033	10.118	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7569	0.853	19	107.7569	0.728	19	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.6710	0.000	1	105.6710	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9570	0.000	1	107.9570	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.9097	2.604	3	108.9097	6.781	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4880	0.000	1	107.4880	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|N<2>,2|H<1>}	H(CC[6a]CC)	107.4385	0.296	2	107.4385	0.088	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4040	0.000	1	107.4040	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1830	0.000	1	108.1830	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6117	0.806	3	106.6117	0.650	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.3760	0.000	1	105.3760	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5470	0.652	5	107.5470	0.425	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.4980	1.822	2	108.4980	3.318	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4530	1.325	2	107.4530	1.756	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CC)	107.2170	0.000	1	107.2170	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.5840	0.006	2	107.5840	0.000	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.2365	4.597	2	104.2365	21.132	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(CCCH){3|C<3>}	H(CC[6a]CC)	106.2800	0.000	1	106.2800	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2550	0.000	1	107.2550	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCCH){2|C<3>}	H(CC[6a]CC)	106.5720	0.000	1	106.5720	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7562	0.355	4	107.6564	0.144	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2570	0.000	1	107.6564	0.144	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0255	1.146	2	107.0255	1.314	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]CC)	104.5490	0.000	1	104.5490	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.7595	0.149	2	107.8104	0.160	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9620	0.630	3	107.8104	0.160	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.6340	0.088	2	107.8104	0.160	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9740	0.000	1	106.9740	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.2967	0.218	3	107.5251	0.130	20	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5654	0.369	17	107.5251	0.130	20	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3000	0.000	1	108.3000	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.3255	0.900	2	107.3255	0.810	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	108.5110	0.000	1	107.4195	1.520	25	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3740	1.238	24	107.4195	1.520	25	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0870	0.000	1	108.0870	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9564	0.405	8	107.9564	0.164	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4120	0.000	1	107.4120	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCCH){2|C<3>}	H(CC[6a]CC)	108.1410	0.000	1	108.1410	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCCH){2|C<3>}	H(CC[6a]CC)	107.6410	0.000	1	107.6410	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	110.1030	0.000	1	108.6895	3.996	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.2760	0.000	1	108.6895	3.996	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9170	0.568	3	107.8252	0.249	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){2|Cl<1>,1|C<3>}	H(CC[6a]CC)	107.5500	0.000	1	107.8252	0.249	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9633	0.779	4	107.9633	0.607	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.2085	0.821	26	107.2085	0.674	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.9445	0.053	2	107.9445	0.003	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.9770	0.000	1	107.6927	0.256	38	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	108.1645	0.125	2	107.6927	0.256	38	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6363	0.515	33	107.6927	0.256	38	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|N<2>,2|H<1>}	H(CC[6a]CC)	108.0100	0.369	2	107.6927	0.256	38	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	106.7300	2.111	15	106.7300	4.458	15	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7652	1.682	8	106.7652	2.828	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.3620	0.000	1	108.3424	3.570	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5875	2.088	4	108.3424	3.570	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7620	1.639	2	106.7620	2.687	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8200	0.986	6	107.8200	0.973	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1700	0.000	1	107.1700	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7890	0.000	1	107.7890	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3580	0.000	1	107.3580	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.2150	0.000	1	105.2150	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	102.9860	0.000	1	102.9860	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8710	0.000	1	107.8710	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0834	2.340	5	107.0834	5.474	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCCH){1|C<3>,1|H<1>}	H(CC[6a]CC)	110.1010	0.000	1	110.1010	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3730	0.143	2	108.3730	0.020	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.9085	1.148	2	106.8005	0.756	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.6925	0.951	2	106.8005	0.756	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.3585	0.252	2	105.3585	0.064	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.8450	0.000	1	108.8450	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.3240	0.144	2	107.3240	0.021	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5660	0.000	1	106.5660	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.5265	0.534	2	104.5265	0.285	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.5850	0.000	1	105.5850	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2470	0.000	1	107.2470	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CCCH){1|C<3>,1|H<1>}	H(CC[6a]CC)	107.2660	0.245	3	107.2660	0.060	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5030	0.000	1	106.5030	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6780	0.144	2	107.6780	0.021	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.2370	0.000	1	106.2370	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.2420	0.000	1	105.2420	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8730	0.062	2	106.8730	0.004	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8726	0.344	20	106.8726	0.118	20	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.5910	0.000	1	105.5910	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1330	0.000	1	107.1330	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5140	0.000	1	107.5140	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9860	0.000	1	106.9860	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.8665	0.405	2	105.8665	0.164	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0140	0.192	2	107.0140	0.037	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	106.9010	0.000	1	106.9010	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	111.4550	0.000	1	111.4550	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2591	1.034	8	107.2591	1.069	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2780	0.000	1	107.2780	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6720	0.000	1	107.6720	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8073	0.568	3	106.8073	0.323	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.4255	1.118	2	106.4255	1.250	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.7925	0.783	4	105.8187	0.314	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|O<2>}	H(CC[6a]CC)	105.8450	0.342	4	105.8187	0.314	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.4780	0.997	3	106.4780	0.994	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3560	0.328	2	107.3560	0.108	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.0790	0.175	2	107.0790	0.031	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	108.5470	0.000	1	107.8513	0.198	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7519	0.372	7	107.8513	0.198	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.7450	0.115	2	105.7450	0.013	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.8500	0.000	1	105.8500	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.0880	0.000	1	106.0880	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9053	1.077	7	106.9053	1.160	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4100	0.000	1	107.4100	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5300	0.000	1	106.5300	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.0260	0.000	1	106.0260	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.1005	0.043	2	108.1005	0.002	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5440	0.000	1	107.5440	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.5310	0.000	1	107.5310	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.2840	0.365	3	106.2840	0.133	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6749	0.338	11	107.6749	0.114	11	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4217	0.378	3	107.4217	0.143	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	108.0610	0.471	6	107.9754	0.178	11	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8726	0.379	5	107.9754	0.178	11	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0640	0.000	1	108.0640	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7482	0.331	5	107.7482	0.110	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.2670	0.000	1	107.2670	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3710	0.000	1	106.3710	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7820	0.000	1	107.7820	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.4185	0.104	2	107.4185	0.011	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9000	0.000	1	107.9000	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	105.2253	0.050	3	105.2253	0.003	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4450	0.000	1	107.4450	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3410	0.000	1	107.3410	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8070	0.000	1	106.8070	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8160	0.000	1	107.8160	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.0580	0.000	1	106.0580	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0340	0.266	2	108.0340	0.071	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5870	0.000	1	108.5870	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8800	0.000	1	107.8800	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.2905	0.149	2	107.2905	0.022	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.4152	0.375	6	107.3370	0.058	22	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.3077	0.175	16	107.3370	0.058	22	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[3,3]C[6a])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]CC)	105.2990	1.082	2	105.2990	1.170	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	108.3045	0.695	2	105.9753	11.291	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	105.0436	3.608	5	105.9753	11.291	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[4,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3830	0.359	2	107.3830	0.129	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CC)	105.3200	0.000	1	105.3200	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	105.8320	0.000	1	107.1840	0.853	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	107.6620	0.000	1	107.1840	0.853	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.6210	0.346	2	107.1840	0.853	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.3350	0.000	1	107.3350	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6,6a]H)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	107.5540	0.074	2	107.5540	0.005	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CC)	106.4755	0.049	2	106.7893	0.196	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	107.1030	0.437	2	106.7893	0.196	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]CC)	106.0350	0.000	1	106.4313	5.387	9	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.4809	2.476	8	106.4313	5.387	9	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	H(CC[6a]CC)	107.6335	0.021	2	107.6323	0.025	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.6318	0.203	4	107.6323	0.025	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CC)	107.4680	0.000	1	107.4680	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Br)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.7210	0.000	1	107.7210	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.5730	0.000	1	107.5730	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.7040	0.000	1	107.7040	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	106.4279	2.150	44	106.4577	4.340	47	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.8950	0.423	3	106.4577	4.340	47	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3353	0.019	3	107.2276	0.055	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CC)	107.0740	0.000	1	107.2276	0.055	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2460	0.000	1	107.2276	0.055	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	107.1335	0.503	2	107.2276	0.055	7	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.5800	0.570	3	107.5800	0.325	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	106.8240	0.308	2	106.8240	0.095	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	106.9660	0.000	1	106.9660	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	105.8920	0.000	1	105.8920	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	106.7120	0.000	1	106.7120	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.5055	0.295	6	107.1082	0.405	23	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	107.6530	0.000	1	107.1082	0.405	23	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.3002	0.601	16	107.1082	0.405	23	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)(CCCH){2|C<3>}	H(CC[6a]CC)	109.5550	0.000	1	109.5550	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.4655	0.244	2	107.7849	0.073	12	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.8488	0.236	10	107.7849	0.073	12	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Al<3>,1|C<4>,3|C<3>}	H(CC[6a]CC)	107.7993	0.076	3	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Al<4>,1|C<4>,3|C<3>}	H(CC[6a]CC)	107.9073	0.225	4	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.6508	0.728	789	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|C<4>,4|C<3>}	H(CC[6a]CC)	107.8265	1.015	2	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Co<7>,1|C<4>,3|C<3>}	H(CC[6a]CC)	107.8185	0.112	2	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Fe<7>,1|C<4>,3|C<3>}	H(CC[6a]CC)	107.8810	0.000	1	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	107.9290	0.000	1	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.6774	0.249	7	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){1|Sn<2>,1|C<4>,3|C<3>}	H(CC[6a]CC)	107.4213	0.100	4	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.6305	0.378	319	107.6468	0.411	1132	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)2(CCCH){2|C<4>,5|C<3>}	H(CC[6a]CC)	105.4880	0.000	1	105.4880	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.3518	0.214	5	107.3518	0.046	5	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	108.0377	0.367	6	107.5345	0.236	28	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.3972	0.423	22	107.5345	0.236	28	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.3307	0.246	12	107.3307	0.061	12	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.2001	0.317	10	107.2001	0.101	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]CC)	107.6898	0.358	4	107.2507	0.289	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	106.8117	0.180	4	107.2507	0.289	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.4980	0.016	2	107.4980	0.000	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3692	0.515	16	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CC)	110.0195	3.549	2	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.6964	0.160	5	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	108.2005	1.550	62	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7986	0.769	10	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	106.8025	1.316	2	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){3|C<3>}	H(CC[6a]CC)	107.5490	0.000	1	108.0000	1.972	98	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CCCH){1|Co<9>,1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]CC)	107.4510	0.062	2	107.4510	0.004	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]CC)	107.8990	0.099	2	107.8085	0.137	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CC)	107.7795	0.472	4	107.8085	0.137	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|Fe<10>,1|C<3>,4|C<4>}	H(CC[6a]CC)	108.1500	0.011	2	107.8085	0.137	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]CC)	107.4345	0.136	2	107.8085	0.137	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7940	0.142	4	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.7512	0.148	4	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.6100	0.328	4	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.7056	0.267	48	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]CC)	107.8972	0.243	4	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|Se<2>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.0080	0.785	2	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){3|C<3>,3|H<1>}	H(CC[6a]CC)	107.3903	0.305	4	107.6808	0.093	70	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3195	0.179	2	107.4591	0.101	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.5057	0.354	6	107.4591	0.101	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[3])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<3>,1|S<2>,3|C<4>}	H(CC[6a]CC)	107.4240	0.292	4	107.4240	0.085	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]CC)	107.4660	0.076	2	107.4660	0.006	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	H(CC[6a]CC)	107.5145	0.067	2	107.5337	0.032	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]CC)	107.5402	0.207	6	107.5337	0.032	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,3|C<4>}	H(CC[6a]CC)	107.9680	0.157	2	107.9680	0.025	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.6490	0.305	2	107.6490	0.093	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.3388	0.838	6	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.6039	0.855	14	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.6495	0.648	7207	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]CC)	107.4800	0.494	2	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CC)	107.4062	0.275	4	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|P<3>}	H(CC[6a]CC)	107.8517	0.113	4	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|S<4>}	H(CC[6a]CC)	107.8105	0.124	2	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.5237	0.320	8	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	108.0949	2.407	27	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3864	0.639	37	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	106.9602	1.234	16	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6302	0.490	9	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Si<4>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.7585	0.114	2	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){2|Br<1>,1|C<3>}	H(CC[6a]CC)	107.2610	0.000	1	107.6478	0.442	7339	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.6019	0.498	20	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.6710	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,2|C<3>}	H(CC[6a]CC)	107.9930	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.5529	0.578	419	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|I<1>}	H(CC[6a]CC)	107.0451	1.331	8	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]CC)	107.9660	0.190	6	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|N<4>}	H(CC[6a]CC)	107.5486	0.813	18	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]CC)	107.5020	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]CC)	107.6065	0.277	11	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]CC)	105.7060	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.3940	0.736	3	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0024	3.114	20	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	107.8086	0.338	7	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.5316	1.036	36	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2167	0.263	11	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|O<2>,2|C<3>}	H(CC[6a]CC)	107.8090	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){3|C<3>}	H(CC[6a]CC)	107.6040	0.000	1	107.5613	0.720	565	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]CC)	107.4990	0.315	8	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.2280	0.664	59	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	107.9295	0.623	2	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.4752	0.763	165	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.7490	0.332	29	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	107.6535	0.745	2	107.4556	0.500	265	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.6851	0.419	82	107.6727	0.187	83	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|Se<2>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.6510	0.000	1	107.6727	0.187	83	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]CC)	106.7357	1.324	9	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	105.8110	3.175	4	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CC)	106.4527	1.761	9	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]CC)	107.8850	0.000	1	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|C<2>}	H(CC[6a]CC)	109.1240	0.028	4	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	106.9796	2.094	558	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.0858	3.335	124	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<4>,2|C<3>}	H(CC[6a]CC)	106.4390	0.000	1	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	107.1305	0.513	2	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Pd<4>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.3455	0.016	2	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|Pt<5>,1|C<3>,1|H<1>}	H(CC[6a]CC)	107.0408	0.862	4	106.8233	5.568	718	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Mg)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.1120	0.072	2	107.1120	0.005	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	105.6640	0.000	1	103.1025	13.123	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	100.5410	0.000	1	103.1025	13.123	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5220	0.116	2	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.9580	0.239	2	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.7667	0.505	10	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.7192	0.431	6	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){2|Nb<11>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	108.3750	3.639	4	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(CCCH){2|Si<5>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.9830	0.051	2	107.8618	1.782	26	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	H(CC[6a]CC)	107.5427	0.332	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6320	0.259	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.7715	0.496	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<5>}	H(CC[6a]CC)	107.6660	0.440	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8460	0.510	10	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	H(CC[6a]CC)	108.0387	1.660	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	H(CC[6a]CC)	107.7920	0.242	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	H(CC[6a]CC)	107.4880	0.363	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	H(CC[6a]CC)	107.7695	0.151	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<5>}	H(CC[6a]CC)	107.9075	0.244	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]CC)	107.7854	0.272	12	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.2335	0.919	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.2902	0.352	37	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.7755	0.507	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7406	0.643	10	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]CC)	107.6205	0.253	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|P<3>}	H(CC[6a]CC)	107.6620	0.072	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8566	0.358	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3903	0.203	6	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.5980	0.189	6	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8828	0.369	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.9977	0.232	6	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8052	0.214	12	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.1298	0.480	19	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]CC)	107.3480	0.465	6	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8805	0.056	2	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7062	0.187	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.9109	0.202	8	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7854	0.429	24	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8871	0.226	11	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.2065	0.415	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(CCCH){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.9578	0.142	4	107.7135	0.227	249	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CC)	105.3090	0.636	2	105.3090	0.405	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	108.3240	0.363	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6760	0.677	71	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7874	0.396	24	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6960	0.212	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.9416	0.451	8	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]CC)	107.7585	0.325	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.9610	0.235	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6161	0.521	55	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	H(CC[6a]CC)	107.8292	0.311	31	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(CC[6a]CC)	107.8444	0.366	22	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CC)	108.0008	0.241	81	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	107.7925	0.381	128	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]CC)	107.4091	0.780	8	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	H(CC[6a]CC)	107.6917	0.609	40	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]CC)	107.7793	0.672	43	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(CC[6a]CC)	107.5166	0.334	13	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(CC[6a]CC)	107.7185	0.330	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.7781	0.589	3030	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|N<2>,3|C<3>}	H(CC[6a]CC)	107.8468	0.681	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]CC)	107.8286	0.339	14	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]CC)	107.8009	0.306	10	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,4|C<3>}	H(CC[6a]CC)	107.7460	0.313	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.4515	0.292	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6310	0.151	3	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6658	0.397	155	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.8244	0.314	8	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6240	0.410	85	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|Li<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.5265	0.152	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7495	0.360	22	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.1873	0.638	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5421	0.443	16	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.8300	0.080	3	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.9228	0.092	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8089	0.232	17	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.8159	0.217	14	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.3755	0.514	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7465	0.566	8	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.9697	0.479	894	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.3110	0.328	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6859	0.443	14	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	108.2597	0.204	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5230	0.212	9	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8154	0.111	5	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.4935	0.053	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.9431	0.473	32	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.3280	0.309	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.8224	1.016	12	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Os<9>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.6800	0.000	1	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8030	0.610	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8317	0.434	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6372	0.102	4	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.0063	0.287	22	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	108.1260	0.109	2	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.9168	0.281	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.7930	0.251	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	H(CC[6a]CC)	107.8222	0.311	5	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){5|C<3>}	H(CC[6a]CC)	107.6072	0.530	6	107.8073	0.303	4985	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|As<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7520	0.260	4	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7194	0.571	466	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|H<1>,3|C<3>}	H(CC[6a]CC)	106.8290	0.000	1	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.6556	0.277	8	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.0385	0.147	4	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	108.1420	0.000	1	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]CC)	107.8682	0.184	4	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	107.9175	0.441	10	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.7211	0.343	63	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.1825	0.021	2	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]CC)	107.3655	0.125	2	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Se<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.3270	0.851	2	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5631	0.280	16	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){2|Br<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	107.3070	0.000	1	107.7188	0.286	584	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[5,6a]H)(CCCH){1|H<1>,1|S<4>,3|C<3>}	H(CC[6a]CC)	107.6628	0.400	4	107.6628	0.160	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<2>,1|As<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	108.0480	0.260	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7720	0.371	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|As<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8810	0.323	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6003	0.283	6	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7754	0.451	12	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8849	0.342	32	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	108.0226	0.401	5	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|P<2>,1|P<3>}	H(CC[6a]CC)	108.0820	0.386	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	H(CC[6a]CC)	107.8580	0.481	2	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CC)	108.0000	0.000	1	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]CC)	108.3167	0.321	9	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.7215	0.308	51	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	108.0897	0.471	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6033	0.042	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7347	0.431	47	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	108.2815	0.312	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8213	0.486	202	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.4352	0.735	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.9765	0.088	2	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8212	0.289	30	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.6150	0.197	2	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8219	0.431	168	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8528	0.392	83	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.9759	0.592	55	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,4|C<3>}	H(CC[6a]CC)	107.9230	0.000	1	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CC[6a]CC)	107.7602	0.295	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5743	0.184	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.6190	0.137	7	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7149	0.371	56	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6123	0.214	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6154	0.701	14	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8170	0.341	78	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.7909	0.455	58	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8621	0.307	18	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<8>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	108.0007	0.270	8	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Nb<9>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8129	0.469	8	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<2>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5630	0.097	4	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8088	0.568	12	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	108.1020	0.059	2	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.8528	0.333	149	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.9324	0.761	16	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){2|As<3>,1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.8876	0.220	8	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.4230	0.204	2	107.8244	0.182	1192	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5599	0.749	18	107.5456	0.250	66	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.5076	0.407	24	107.5456	0.250	66	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5475	0.428	8	107.5456	0.250	66	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.5857	0.321	16	107.5456	0.250	66	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.2330	0.231	5	107.2586	0.045	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3013	0.214	3	107.2586	0.045	8	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]O)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]O)2(CCCH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]CC)	106.5180	0.000	1	106.5180	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[3])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	H(CC[6a]CC)	107.5248	0.093	6	107.5248	0.009	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,4|C<4>}	H(CC[6a]CC)	107.9528	0.327	5	107.8578	0.066	17	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	H(CC[6a]CC)	107.8150	0.033	2	107.8578	0.066	17	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|O<1>,2|C<4>,3|C<3>}	H(CC[6a]CC)	107.6905	0.183	2	107.8578	0.066	17	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]CC)	107.8790	0.387	4	107.8578	0.066	17	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){2|C<3>,4|C<4>}	H(CC[6a]CC)	107.8230	0.091	4	107.8578	0.066	17	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]CC)	107.7270	0.055	2	107.9613	0.065	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	H(CC[6a]CC)	108.0785	0.230	4	107.9613	0.065	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	88.6437	0.000	1	88.6437	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.4043	0.102	3	107.3996	0.133	15	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.3984	0.409	12	107.3996	0.133	15	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.4464	0.276	10	107.4464	0.076	10	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.5403	0.746	51	107.5403	0.556	51	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]CC)	108.1530	2.015	2	107.5845	0.478	18	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH){1|Cl<1>,2|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]CC)	107.4232	0.719	4	107.5845	0.478	18	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|Si<4>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.6315	0.364	4	107.5845	0.478	18	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH){2|Si<4>,1|C<3>,2|C<4>}	H(CC[6a]CC)	107.2160	0.902	2	107.5845	0.478	18	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CCCH){2|Si<4>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.5940	0.234	6	107.5845	0.478	18	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]CC)	107.4305	0.240	4	107.4838	0.049	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[4])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	H(CC[6a]CC)	107.5905	0.194	2	107.4838	0.049	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Si[5])(C[6a]C[6a]H)(CCCH){2|C<3>,2|C<4>,2|N<3>}	H(CC[6a]CC)	107.7280	0.757	4	107.7280	0.574	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.3799	0.393	51	107.3799	0.155	51	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	H(CC[6a]CC)	107.5540	0.132	4	107.5540	0.017	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	H(CC[6a]CC)	107.9170	1.164	2	107.8420	0.485	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.7670	0.280	2	107.8420	0.485	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6935	0.298	2	107.6935	0.089	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]CC)	107.7600	0.000	1	107.9369	0.319	41	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]CC)	107.8510	0.328	6	107.9369	0.319	41	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(CC[6a]CC)	108.5119	1.003	8	107.9369	0.319	41	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]CC)	107.6158	0.204	8	107.9369	0.319	41	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]CC)	107.8625	0.269	18	107.9369	0.319	41	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(CCCH){1|C<3>,1|H<1>}	H(CC[6a]CC)	105.5483	2.089	3	105.5483	4.365	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	104.3350	0.000	1	104.3350	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]O)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]N[6a]O)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.8280	0.320	2	106.8280	0.102	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	H(CC[6a]CC)	107.8000	0.088	4	107.9333	0.067	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	H(CC[6a]CC)	108.2000	0.311	2	107.9333	0.067	6	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,4|C<4>}	H(CC[6a]CC)	108.0285	0.045	2	108.0285	0.002	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]Si[4,4]C[6a])(C[6a]C[6a]H)(CCCH){2|Si<4>,2|C<3>,2|C<4>}	H(CC[6a]CC)	108.0480	0.182	4	108.0480	0.033	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]Si[4x4]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,2|Si<3>,1|C<3>,2|C<4>}	H(CC[6a]CC)	108.0027	0.533	3	108.0027	0.284	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4327	1.414	3	107.4327	1.998	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.0625	0.258	4	107.0625	0.066	4	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.1015	0.134	2	107.0600	0.014	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|O<2>}	H(CC[6a]CC)	106.9770	0.000	1	107.0600	0.014	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.2920	0.000	1	107.2920	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3840	0.000	1	107.3840	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.6950	0.000	1	107.6950	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.8140	0.000	1	107.8140	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.5780	0.000	1	106.5780	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0510	0.000	1	108.0510	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.4250	0.000	1	107.4250	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.1080	0.000	1	106.1080	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CC)	108.4810	0.430	2	108.4810	0.185	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3745	0.555	2	108.3745	0.308	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.2940	0.000	1	108.2940	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9010	0.000	1	106.9010	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.6565	0.383	2	106.6565	0.146	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	H(CC[6a]CC)	107.5440	0.440	2	107.5440	0.193	2	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]CC)	107.7860	0.000	1	107.7860	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.4190	0.000	1	106.4190	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CC[6a]CC)	106.9420	0.000	1	106.9420	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.7510	0.739	3	106.7510	0.547	3	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0830	0.000	1	108.0830	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C[6a](C[6a]C[6a]Zr)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C[6a](C[6a]C[6a]Zr)(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.3760	0.000	1	107.3760	0.000	1	107.6494	0.702	18419	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH){1|N<3>,2|O<1>}	H(CC[6a]CC)	107.3760	0.127	2	107.3760	0.016	2	107.3760	0.016	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]CC)	105.9740	1.013	2	105.9740	1.025	2	106.8047	1.262	4	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	H(CC[6a]CC)	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]CC)	107.6355	0.037	2	107.6355	0.001	2	106.8047	1.262	4	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.5053	0.625	3	108.5053	0.390	3	107.9088	0.436	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	106.7225	0.367	2	106.7225	0.135	2	107.9088	0.436	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.9736	0.324	9	107.9736	0.105	9	107.9088	0.436	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5793	0.368	3	107.5793	0.135	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.3470	0.000	1	106.3470	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	107.4465	0.544	2	107.4465	0.296	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3240	0.000	1	108.3240	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	107.4080	0.000	1	107.4080	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]CN)	108.2755	0.107	2	107.9780	0.082	7	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8230	0.262	4	107.9780	0.082	7	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|N<2>,2|H<1>}	H(CC[6a]CN)	108.0030	0.000	1	107.9780	0.082	7	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5175	0.172	2	107.5175	0.030	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0927	0.267	4	108.0927	0.071	4	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	107.7255	1.148	2	107.7255	1.317	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7550	0.051	2	107.7550	0.003	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3530	0.000	1	108.3530	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4815	0.428	2	107.4815	0.183	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	104.3405	0.278	2	104.3405	0.077	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7437	0.846	14	107.7437	0.716	14	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0310	0.000	1	108.0310	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7566	0.958	29	107.7566	0.918	29	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0564	0.420	7	108.0564	0.176	7	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	111.8040	0.000	1	111.8040	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2355	0.810	2	108.2355	0.656	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1208	0.765	4	108.1208	0.585	4	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8178	0.683	4	106.8178	0.466	4	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	110.7330	2.193	2	110.7330	4.811	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9450	0.207	3	107.9450	0.043	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.3990	0.000	1	108.3990	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2600	0.205	2	106.2600	0.042	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6665	0.701	2	107.6665	0.491	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0211	0.661	18	108.0211	0.437	18	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6397	0.365	3	107.6397	0.133	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5801	0.614	14	107.5801	0.377	14	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7706	0.483	53	107.7706	0.234	53	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	104.3260	0.000	1	104.3260	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6497	0.708	3	106.6497	0.502	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	107.6969	0.121	7	107.6969	0.015	7	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	H(CC[6a]CN)	107.0450	0.583	2	107.0450	0.339	2	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	H(CC[6a]CN)	107.7830	0.000	1	107.6627	0.051	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6025	0.285	2	107.6627	0.051	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9547	0.937	238	107.9547	0.877	238	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4600	0.000	1	106.4600	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0753	0.215	3	108.0753	0.046	3	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8730	0.000	1	107.8730	0.000	1	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0275	0.253	4	108.0275	0.064	4	107.8535	0.841	453	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	105.3020	0.000	1	105.3020	0.000	1	107.2555	1.299	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.6540	0.000	1	107.6540	0.000	1	107.2555	1.299	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	108.2990	0.383	2	108.2990	0.147	2	107.2555	1.299	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP){1|H<1>,4|C<3>}	H(CC[6a]CP)	106.8240	0.000	1	106.8240	0.000	1	107.2555	1.299	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHP){1|H<1>,2|C<3>}	H(CC[6a]CP)	107.1550	0.000	1	107.1550	0.000	1	107.2555	1.299	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.2950	0.000	1	107.2950	0.000	1	108.0637	0.513	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.6585	1.084	2	108.6585	1.175	2	108.0637	0.513	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.8380	0.000	1	107.8380	0.000	1	108.0637	0.513	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.9660	0.150	2	107.9660	0.022	2	108.0637	0.513	6	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.2210	0.000	1	106.2210	0.000	1	106.4297	0.035	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.5770	0.000	1	106.5770	0.000	1	106.4297	0.035	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.4910	0.000	1	106.4910	0.000	1	106.4297	0.035	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH)	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH){1|C<3>,2|H<1>}	H(CC[6a]C[3]C)	107.2265	0.074	2	107.2265	0.006	2	107.3872	0.538	9	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]CH)	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[3]C)	106.7240	1.614	2	106.7240	2.604	2	107.3872	0.538	9	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH)	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH){1|C<3>,2|H<1>}	H(CC[6a]C[3]C)	107.6393	0.181	4	107.6393	0.033	4	107.3872	0.538	9	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH)	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH){1|C<3>,2|H<1>}	H(CC[6a]C[3]C)	108.0270	0.000	1	108.0270	0.000	1	107.3872	0.538	9	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[4]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH)	H(CC[6a]C[4]C)	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH){1|C<3>,2|H<1>}	H(CC[6a]C[4]C)	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2270	0.000	1	107.2270	0.000	1	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1568	0.268	4	107.1568	0.072	4	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	106.5820	0.000	1	106.5444	0.118	13	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5287	0.373	11	106.5444	0.118	13	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	106.6790	0.000	1	106.5444	0.118	13	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1760	0.000	1	107.1760	0.000	1	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0180	0.610	5	107.0180	0.372	5	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2405	0.854	4	107.2405	0.730	4	106.8628	0.292	28	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H)	H(CC[6a]C[5]C[6])	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[5]C[6])	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]CH){2|H<1>,3|C<3>}	H(CC[6a]C[6]C)	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7793	2.210	3	106.7793	4.884	3	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.6630	0.000	1	106.6630	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7986	0.230	5	106.7986	0.053	5	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.0400	0.000	1	106.0400	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.8455	0.049	2	106.8455	0.002	2	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	106.2622	0.301	4	106.2622	0.091	4	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	109.5580	0.000	1	109.5580	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.6780	0.000	1	106.6780	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.2005	0.856	13	107.1584	0.702	14	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	106.6110	0.000	1	107.1584	0.702	14	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.2465	0.509	4	106.2465	0.259	4	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	106.1170	0.000	1	106.1170	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7870	0.641	4	106.7870	0.411	4	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	108.1860	0.000	1	108.1860	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.7304	0.443	10	107.7304	0.197	10	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.5910	0.000	1	105.5910	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.7600	0.000	1	105.7600	0.000	1	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5756	0.994	16	106.5756	0.988	16	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	107.1800	0.000	1	107.0825	0.019	2	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	106.9850	0.000	1	107.0825	0.019	2	106.8985	0.905	72	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	104.7620	0.000	1	104.7620	0.000	1	105.4110	0.842	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H)	H(CC[6a]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]2H){1|C<3>,2|H<1>}	H(CC[6a]C[6]2)	106.0600	0.000	1	106.0600	0.000	1	105.4110	0.842	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:S-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	105.6070	0.000	1	105.6070	0.000	1	105.6070	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CGeCH)	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CGeCH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]GeC)	106.2580	0.000	1	106.2580	0.000	1	107.2653	1.425	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGeCH)	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGeCH){1|C<3>,2|H<1>}	H(CC[6a]GeC)	108.5840	0.000	1	108.5840	0.000	1	107.2653	1.425	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CGeCH)	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CGeCH){1|C<3>,2|H<1>}	H(CC[6a]GeC)	106.9540	0.000	1	106.9540	0.000	1	107.2653	1.425	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.1780	0.068	2	108.1780	0.005	2	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.5995	1.217	2	107.5995	1.481	2	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	108.0773	0.415	3	108.0773	0.172	3	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ir)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	111.6240	4.918	3	111.6240	24.182	3	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	109.1967	0.371	50	109.1967	0.138	50	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.8338	0.176	5	107.8338	0.031	5	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	109.8883	0.760	3	109.8883	0.578	3	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	109.2131	0.447	14	109.2131	0.200	14	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.9230	0.242	2	107.9230	0.058	2	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	107.1290	2.695	2	107.1290	7.266	2	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Ru)(CCHN){2|H<1>,3|C<3>}	H(CC[6a]CN)	109.5223	0.449	7	109.5223	0.202	7	109.0868	1.306	93	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2790	0.000	1	107.2790	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9300	0.000	1	107.9300	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6020	0.327	2	107.6020	0.107	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	108.0060	0.000	1	108.0385	0.150	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|C<4>}	H(CC[6a]CN)	107.7785	0.086	2	108.0385	0.150	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	108.5910	0.000	1	108.0385	0.150	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5183	2.527	9	108.5183	6.383	9	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0443	0.528	4	106.0443	0.278	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1295	0.110	4	108.1295	0.012	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1045	0.346	4	108.1045	0.120	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0185	0.276	2	106.0185	0.076	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2925	1.214	2	106.2925	1.474	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	107.0320	0.000	1	107.0320	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.8750	0.000	1	106.8750	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1620	0.000	1	107.1620	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.5250	2.523	3	109.5250	6.365	3	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5675	0.421	2	107.5675	0.177	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.9370	0.000	1	107.9370	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5966	0.380	7	107.5966	0.144	7	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8310	0.420	2	107.8310	0.176	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4409	0.411	9	107.4409	0.169	9	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0395	0.279	2	108.0395	0.078	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.4930	0.085	2	107.4930	0.007	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.1290	0.000	1	109.1290	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.6295	2.279	2	106.6295	5.194	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.5914	0.403	8	107.5914	0.163	8	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.6220	0.000	1	107.6220	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	108.8634	1.281	5	108.8634	1.640	5	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2471	0.680	12	106.2471	0.462	12	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]CN)	109.3232	0.419	5	109.3232	0.175	5	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CN)	108.9687	0.325	6	108.9687	0.105	6	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.5738	1.273	33	108.5738	1.620	33	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.9267	0.418	3	106.9267	0.175	3	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.1120	0.000	1	107.1120	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.7484	0.229	5	107.7484	0.052	5	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.6922	1.389	56	108.6922	1.929	56	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	H(CC[6a]CN)	109.0835	0.217	2	109.0835	0.047	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.3563	0.450	4	107.3563	0.202	4	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	109.0351	0.614	11	109.0351	0.376	11	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.8080	0.000	1	107.8080	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.9960	0.000	1	108.9960	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.1760	0.000	1	106.1760	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.4627	0.558	3	106.4627	0.311	3	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.0060	0.000	1	106.0060	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.1160	0.000	1	108.1160	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.0370	0.000	1	108.0370	0.000	1	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	106.2615	0.094	2	106.2615	0.009	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	107.2275	0.136	2	107.2275	0.019	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	105.1505	1.698	2	105.1505	2.882	2	108.0689	1.974	234	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:P-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP){2|H<1>,3|C<3>}	H(CC[6a]NP)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	106.7330	0.027	2	106.7330	0.001	2	107.3383	1.100	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	108.5490	0.000	1	108.5490	0.000	1	107.3383	1.100	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N[4]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	H(CC[6a]N[4]C)	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]BH)	H(CC[6a]N[5]B)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]BH){1|C<3>,2|H<1>}	H(CC[6a]N[5]B)	107.9920	0.164	2	107.9920	0.027	2	107.9920	0.027	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	106.4990	0.000	1	106.4990	0.000	1	106.4990	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.7355	0.036	2	106.7355	0.001	2	107.1473	0.509	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:N[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.9710	0.000	1	107.9710	0.000	1	107.1473	0.509	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP){2|H<1>,3|C<3>}	H(CC[6a]CP)	107.4490	0.000	1	107.4490	0.000	1	108.9050	4.240	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pt)(CCHP){2|H<1>,3|C<3>}	H(CC[6a]CP)	110.3610	0.000	1	110.3610	0.000	1	108.9050	4.240	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	105.3790	1.013	2	105.3790	1.025	2	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	105.2750	0.000	1	105.2750	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.8840	0.000	1	106.8840	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	108.1675	0.878	2	108.1675	0.770	2	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	105.3210	0.000	1	105.3210	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	110.4310	0.841	2	110.4310	0.708	2	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.9660	0.843	7	107.9660	0.710	7	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.6840	0.000	1	107.6840	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	102.2760	0.000	1	102.2760	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCHP){1|C<3>,1|H<1>}	H(CC[6a]CP)	106.5940	0.000	1	106.5940	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.9885	1.629	4	106.9885	2.652	4	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHP){1|C<3>,1|C<4>,1|F<1>}	H(CC[6a]CP)	110.9437	0.324	4	110.7580	0.171	10	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	110.6342	0.445	6	110.7580	0.171	10	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a,6a]Pd)(C[6a]C[6a]C)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a,6a]Pd)(C[6a]C[6a]C)(CCHP){1|H<1>,2|C<3>}	H(CC[6a]CP)	110.2143	0.420	6	110.2143	0.176	6	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	105.9843	1.309	4	105.9843	1.713	4	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	110.5625	0.054	2	110.5625	0.003	2	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.0980	0.000	1	107.0980	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CP)	109.3470	1.637	5	109.3470	2.681	5	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	105.6732	1.592	4	105.6732	2.534	4	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.3290	0.685	3	106.3290	0.470	3	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	111.5740	0.000	1	111.5740	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.3637	0.509	3	107.3637	0.259	3	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.9838	0.735	4	106.9838	0.540	4	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.9407	0.922	4	106.9407	0.850	4	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.9400	0.000	1	106.9400	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	106.3445	0.127	2	106.3445	0.016	2	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	103.4190	0.000	1	103.4190	0.000	1	107.9400	4.813	74	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Mn)2(H)	C[6a](C[6a]C[6a]H)2(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2Mn)2(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,2|H<1>}	H(CC[6a]PP)	108.1970	0.000	1	108.1970	0.000	1	105.9052	8.438	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	C[6a](C[6a]C[6a]H)2(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,1|C<4>,1|P<4>}	H(CC[6a]PP)	105.0440	0.000	1	105.0440	0.000	1	105.9052	8.438	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,2|H<1>}	H(CC[6a]PP)	109.5200	0.000	1	109.5200	0.000	1	105.9052	8.438	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP)	H(CC[6a]PP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,2|H<1>}	H(CC[6a]PP)	103.3825	1.401	2	103.3825	1.962	2	105.9052	8.438	5	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS){1|N<3>,3|C<3>}	H(CC[6a]CS)	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CS)	107.6020	0.000	1	107.6020	0.000	1	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.5277	0.194	4	107.5277	0.038	4	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.7990	0.000	1	107.7990	0.000	1	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.7240	0.000	1	107.7240	0.000	1	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.7160	0.000	1	107.7160	0.000	1	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CS)	108.3920	0.000	1	108.2235	0.057	2	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	108.0550	0.000	1	108.2235	0.057	2	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CCHS){1|C<3>,2|H<1>}	H(CC[6a]CS)	107.8222	0.213	4	107.8222	0.045	4	107.7634	0.077	14	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSiCH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]SiC)	108.0870	0.000	1	108.0870	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH){2|H<1>,3|C<3>}	H(CC[6a]SiC)	106.2260	0.830	2	106.2260	0.689	2	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.7810	0.000	1	106.7810	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.9280	0.000	1	106.9280	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiCH){1|H<1>,2|C<3>}	H(CC[6a]SiC)	106.4210	0.000	1	106.4210	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	106.7180	0.000	1	106.7180	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C[6a](C[6a]C[6a]H)2(CSiCH)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C[6a](C[6a]C[6a]H)2(CSiCH){1|C<3>,2|H<1>}	H(CC[6a]SiC)	104.5310	0.000	1	104.5310	0.000	1	106.4898	1.079	8	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H){1|Li<8>,1|C<3>,4|C<4>}	H(CC[6a]Si2)	103.4635	0.131	2	103.4635	0.017	2	105.1360	8.400	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[4,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]Si2)	108.4810	0.000	1	108.4810	0.000	1	105.1360	8.400	3	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	105.1940	0.000	1	105.1940	0.000	1	104.4640	1.066	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]Si2)	103.7340	0.000	1	103.7340	0.000	1	104.4640	1.066	2	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.0255	0.556	2	104.0255	0.310	2	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	102.4300	0.000	1	102.4300	0.000	1	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]Si2)	104.0523	0.445	4	104.0523	0.198	4	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.1825	0.052	2	104.1825	0.003	2	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	105.4475	0.194	2	105.4475	0.038	2	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.6412	0.658	12	104.6412	0.433	12	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[4])(C[6a]C[6a]H)(CSi2H){1|Ge<3>,1|C<3>,3|C<4>}	H(CC[6a]Si2)	104.4345	0.500	4	104.4345	0.250	4	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[5])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	104.9867	1.240	6	104.9867	1.537	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|Ge<3>,2|C<3>,2|C<4>}	H(CC[6a]Si2)	104.9540	0.614	2	104.2576	1.146	11	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	105.4750	0.382	2	104.2576	1.146	11	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	H(CC[6a]Si2)	103.7626	1.050	5	104.2576	1.146	11	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Ge[6])(C[6a]C[6a]H)(CSi2H){3|C<3>,3|C<4>}	H(CC[6a]Si2)	103.5815	0.677	2	104.2576	1.146	11	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]Si2)	104.7586	0.726	8	104.7586	0.526	8	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	103.2453	0.955	28	103.2453	0.912	28	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.0463	0.675	6	104.0463	0.456	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	103.2342	1.152	34	103.2342	1.328	34	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.5757	0.540	4	104.5757	0.291	4	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]Si2)	108.1618	2.820	6	104.8964	4.288	34	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.1967	0.943	28	104.8964	4.288	34	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H){1|Br<1>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	104.1735	0.256	4	106.5593	14.399	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[3])(C[6a]C[6a]H)(CSi2H){2|C<4>,4|C<3>}	H(CC[6a]Si2)	111.3310	1.868	2	106.5593	14.399	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]Si2)	104.8160	1.203	2	103.9103	0.664	8	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	103.5020	0.264	2	103.9103	0.664	8	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Si[6])(C[6a]C[6a]H)(CSi2H){2|C<4>,3|C<3>}	H(CC[6a]Si2)	103.6615	0.550	4	103.9103	0.664	8	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CSi2H){1|C<3>,2|C<4>}	H(CC[6a]Si2)	104.1820	0.609	6	104.1820	0.370	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H){1|Ge<4>,1|C<3>,4|C<4>}	H(CC[6a]Si2)	102.9770	0.413	4	103.9547	2.398	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Ge[4,4]C[6a])(C[6a]C[6a]H)(CSi2H){1|Ge<4>,2|C<4>,3|C<3>}	H(CC[6a]Si2)	105.9100	0.072	2	103.9547	2.398	6	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H)	H(CC[6a]Si2)	C(C[6a]C[6a]2)(SiC3)2(H)	C[6a](C[6a]Si[5,5]C[6a])(C[6a]C[6a]H)(CSi2H){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]Si2)	109.7295	1.261	2	109.7295	1.590	2	104.2098	2.809	186	107.6260	0.902	19747	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:2:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]N[6a])(PC[6a]2FF)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]HP)	108.4820	0.021	2	108.4820	0.000	2	108.4820	0.000	2	108.4820	0.000	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:C-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CAl4)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CAl4)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.4323	0.294	6	108.4323	0.087	6	108.5935	0.049	17	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:C-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CTiCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CTiCHO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7387	0.102	4	108.7387	0.010	4	108.5935	0.049	17	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:C-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CZrCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CZrCHO)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	H(CC[6a]CH)	108.6487	0.100	7	108.6487	0.010	7	108.5935	0.049	17	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:Nb-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(NbClCOO)(H)2	C[6a](C[6a]C[6a]H)2(CNbHH)	H(CC[6a]NbH)	C(C[6a]C[6a]2)(NbClCOO)(H)2	C[6a](C[6a]C[6a]H)2(CNbHH){1|C<3>,2|H<1>}	H(CC[6a]NbH)	108.6925	2.752	4	108.6925	7.572	4	108.6925	7.572	4	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|Pr<15>,1|H<1>,3|C<3>}	H(CC[6a]HP)	108.9254	0.084	8	108.9254	0.007	8	108.9254	0.007	8	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(PDyO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PDyO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	H(CC[6a]HP)	108.1553	0.356	13	108.1553	0.127	13	108.1428	0.197	19	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(PErO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a,6a]2)(PErO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	H(CC[6a]HP)	108.1157	0.634	6	108.1157	0.402	6	108.1428	0.197	19	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]NdCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PC[6a]NdCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.3870	0.064	4	108.3870	0.004	4	108.7460	0.280	16	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PLaO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PLaO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.4730	0.319	6	108.4730	0.102	6	108.7460	0.280	16	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:P-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PLi2CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	H(CC[6a]HP)	C(C[6a]C[6a]2)(PLi2CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.2583	0.478	6	109.2583	0.228	6	108.7460	0.280	16	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:Si-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCoCOO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCoCOO)(H)2	C[6a](C[6a]C[6a]H)2(CSiHH){1|C<3>,2|H<1>}	H(CC[6a]SiH)	109.3045	0.026	2	109.3045	0.001	2	109.3113	0.000	4	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:1:1:	3:3:4:	4:	C[6a]-3:Si-5:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(SiCoCOO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	H(CC[6a]SiH)	C(C[6a]C[6a]2)(SiCoCOO)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	H(CC[6a]SiH)	109.3180	0.006	2	109.3180	0.000	2	109.3113	0.000	4	108.5905	0.575	68	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:3:1:	3:3:4:	4:	C[6a]-3:P-5:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2NiO)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	H(CC[6a]NP)	C(C[6a]C[6a]2)(PC[6a]2NiO)(NC[6a]Ni)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	H(CC[6a]NP)	109.7335	0.030	2	109.7335	0.001	2	109.7335	0.001	2	109.7335	0.001	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:4:1:	3:3:4:	4:	C[6a]-3:C-5:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	107.4490	0.000	1	107.4490	0.000	1	106.9915	0.419	2	106.9915	0.419	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	3:5:4:1:	3:3:4:	4:	C[6a]-3:C-5:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]CC)	106.5340	0.000	1	106.5340	0.000	1	106.9915	0.419	2	106.9915	0.419	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:O[6a]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH){1|C<3>,1|H<1>,1|O<1>}	H(CC[5,6]C[6a]H)	108.3220	0.034	2	108.3220	0.001	2	108.3220	0.001	2	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.1260	0.000	1	108.1260	0.000	1	108.7887	0.117	9	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0490	0.023	2	109.0490	0.001	2	108.7887	0.117	9	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.9125	0.042	2	108.9125	0.002	2	108.7887	0.117	9	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.7622	0.328	4	108.7622	0.108	4	108.7887	0.117	9	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]C[6]H)	107.5460	0.011	2	107.5460	0.000	2	108.1970	0.565	4	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]HH){1|C<3>,1|N<2>,1|N<3>}	H(CC[6a]C[6]H)	108.8480	0.028	2	108.8480	0.001	2	108.1970	0.565	4	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	N[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	H(CN[5,6]C[6a]H)	108.9510	0.232	6	108.9510	0.054	6	108.9510	0.054	6	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:2:4:	4:	P[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH)	H(CP[5,5]C[6a]H)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CP[5,5]HH){1|C<3>,2|H<1>}	H(CP[5,5]C[6a]H)	111.1240	2.527	2	111.1240	6.387	2	111.1240	6.387	2	108.8883	0.954	24	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	B[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH)	H(CC[6a]B[5]H)	C(B[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH){1|C<3>,2|H<1>}	H(CC[6a]B[5]H)	108.9310	0.023	2	108.9310	0.001	2	108.9310	0.001	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH)	H(CC[6a]CF)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CCFH){1|C<3>,2|H<1>}	H(CC[6a]CF)	109.3970	0.252	2	109.3970	0.063	2	109.3970	0.063	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.9153	0.235	4	108.9153	0.055	4	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.8245	0.074	2	109.8245	0.006	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.3225	0.008	2	109.3225	0.000	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7378	0.150	4	108.7378	0.022	4	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.9250	0.008	2	108.9250	0.000	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	H(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]CH)	108.4565	0.026	2	108.4565	0.001	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1915	0.013	2	109.1915	0.000	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.1420	0.461	5	109.1420	0.213	5	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.5390	0.054	2	108.5390	0.003	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	109.2605	0.046	2	109.2605	0.002	2	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	H(CC[6a]CH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CC[6a]CH)	108.7705	0.014	4	108.7705	0.000	4	108.9820	0.150	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3,5]C[5,6a]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3,5]HH)	H(CC[3,5]C[6a]H)	C(C[3,5]C[5,6a]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3,5]HH){1|C<3>,2|H<1>}	H(CC[3,5]C[6a]H)	108.2025	0.213	2	108.2025	0.045	2	108.2025	0.045	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[3]FH)	H(CC[6a]C[3]F)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[3]FH){1|C<3>,2|H<1>}	H(CC[6a]C[3]F)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	108.8780	0.024	2	108.8780	0.001	2	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	108.4530	0.000	1	108.4530	0.000	1	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	109.3050	0.061	2	109.3050	0.004	2	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	108.7032	1.146	4	108.7032	1.313	4	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3]HH){1|C<3>,2|H<1>}	H(CC[6a]C[3]H)	110.1805	1.976	2	110.1805	3.906	2	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HH)	H(CC[6a]C[3]H)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HH){1|C<3>,2|O<2>}	H(CC[6a]C[3]H)	108.3770	0.126	4	108.3770	0.016	4	108.9001	0.925	15	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x4]C[4,4]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x4]HH)	H(CC[3x4]C[6a]H)	C(C[3x4]C[4,4]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x4]HH){1|C<3>,2|H<1>}	H(CC[3x4]C[6a]H)	108.1795	0.633	2	108.1795	0.401	2	108.1795	0.401	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]HH)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[3x6]HH){1|C<3>,2|H<1>}	H(CC[3x6]C[6a]H)	104.3170	2.212	2	104.3170	4.892	2	107.5675	2.423	16	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	H(CC[3x6]C[6a]H)	107.2927	0.022	4	107.2927	0.000	4	107.5675	2.423	16	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]HH){1|C<3>,2|H<1>}	H(CC[3x6]C[6a]H)	108.9330	1.700	2	108.9330	2.890	2	107.5675	2.423	16	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x6]HH)	H(CC[3x6]C[6a]H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[3x6]HH){1|C<3>,2|H<1>}	H(CC[3x6]C[6a]H)	108.1761	0.249	8	108.1761	0.062	8	107.5675	2.423	16	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH)	H(CC[4,5]C[6a]H)	C(C[4,5]C[4,5]C[4,6]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH){1|C<3>,2|H<1>}	H(CC[4,5]C[6a]H)	108.4832	0.259	4	108.4832	0.067	4	108.5555	0.342	8	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH)	H(CC[4,5]C[6a]H)	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH){1|C<3>,2|H<1>}	H(CC[4,5]C[6a]H)	109.3610	0.021	2	109.3610	0.000	2	108.5555	0.342	8	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH)	H(CC[4,5]C[6a]H)	C(C[4,5]C[5,6a]C[4,5]C[4])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,5]HH){1|C<3>,2|H<1>}	H(CC[4,5]C[6a]H)	107.8945	0.053	2	107.8945	0.003	2	108.5555	0.342	8	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4,6]C[4,6]2C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,6]HH)	H(CC[4,6]C[6a]H)	C(C[4,6]C[4,6]2C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4,6]HH){1|C<3>,2|H<1>}	H(CC[4,6]C[6a]H)	107.0255	0.015	2	107.0255	0.000	2	107.0255	0.000	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4,5]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	109.5750	0.000	1	109.5750	0.000	1	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4,6,6]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4,6,6]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[4]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[4]H)	108.7045	0.006	2	108.7045	0.000	2	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4,6]C[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[4]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[4]H)	109.0970	0.000	1	109.0970	0.000	1	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4,6]O[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4,6]O[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	109.5033	0.075	6	109.5033	0.006	6	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4,6a]C[4]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4,6a]C[4]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	108.5335	0.005	2	108.5335	0.000	2	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[4]HH){1|H<1>,2|C<3>}	H(CC[6a]C[4]H)	108.7455	0.015	2	108.7455	0.000	2	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	107.8140	0.040	2	107.8140	0.002	2	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]O[4]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4]O[4]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	108.5294	0.388	11	108.5294	0.151	11	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]P[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH)	H(CC[6a]C[4]H)	C(C[4]C[4]P[4]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[4]HH){1|C<3>,2|H<1>}	H(CC[6a]C[4]H)	109.0785	0.296	4	109.0785	0.088	4	108.8201	0.289	31	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	107.5301	0.272	16	107.5301	0.074	16	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5,5]C[6a]H)	108.3535	0.036	2	108.6403	0.110	4	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	108.9270	0.020	2	108.6403	0.110	4	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	108.7227	0.025	3	108.7227	0.001	3	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	107.9878	0.257	4	107.9878	0.066	4	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	109.5832	0.257	4	109.5832	0.066	4	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	108.0970	0.055	2	108.0970	0.003	2	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,5]HH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	108.3830	2.936	2	108.3830	8.620	2	108.1273	0.793	35	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]BrH)	H(CC[5,6]C[6a]Br)	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]BrH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]Br)	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]H)	108.5440	0.037	2	108.5440	0.001	2	108.5479	1.512	26	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5,6]HH){1|C<3>,1|H<1>}	H(CC[5,6]C[6a]H)	108.6935	0.036	2	108.6935	0.001	2	108.5479	1.512	26	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]H)	108.5135	1.585	16	108.5135	2.511	16	108.5479	1.512	26	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]H)	108.6905	0.021	2	108.6905	0.000	2	108.5479	1.512	26	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5,6]HH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]H)	108.5433	0.070	4	108.5433	0.005	4	108.5479	1.512	26	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH)	H(CC[6a]C[5]Br)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Br)	108.1475	0.189	2	108.1475	0.036	2	107.4438	0.358	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH)	H(CC[6a]C[5]Br)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Br)	107.1490	0.000	1	107.1490	0.000	1	107.4438	0.358	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH)	H(CC[6a]C[5]Br)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[6a](C[6a]C[6a]H)2(CC[5]BrH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Br)	107.0730	0.364	3	107.0730	0.133	3	107.4438	0.358	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	H(CC[6a]C[5]Cl)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Cl)	106.7630	0.000	1	106.7630	0.000	1	108.7915	2.337	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[5]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[5]Cl)	109.1972	1.299	5	109.1972	1.687	5	108.7915	2.337	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH)	H(CC[6a]C[5]F)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH){1|C<3>,2|H<1>}	H(CC[6a]C[5]F)	108.8190	0.000	1	108.8190	0.000	1	108.5640	0.130	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH)	H(CC[6a]C[5]F)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CC[5]FH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]F)	108.3090	0.000	1	108.3090	0.000	1	108.5640	0.130	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.7755	0.005	2	108.7755	0.000	2	108.7755	0.000	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1500	0.054	2	109.1500	0.003	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4650	0.000	1	108.4650	0.000	1	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HH){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.5980	0.035	2	108.5980	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.1210	0.007	2	108.1210	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1205	0.067	2	109.1205	0.005	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1985	0.013	2	109.1985	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6425	0.052	2	108.6425	0.003	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	107.8218	0.086	4	107.8218	0.007	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.5622	0.237	6	107.5622	0.056	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4835	0.662	8	108.4835	0.439	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6860	0.006	2	108.6860	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.0325	0.707	6	108.0325	0.500	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8360	0.520	3	108.8360	0.270	3	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9855	0.446	12	108.9855	0.199	12	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9623	0.080	3	108.9623	0.006	3	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0670	0.281	6	109.0670	0.079	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9540	0.060	4	108.9540	0.004	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8480	0.025	2	108.8480	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6810	0.061	2	108.6810	0.004	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8350	0.006	2	108.8350	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2832	0.234	4	109.2832	0.055	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8097	0.040	4	108.7647	0.154	19	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7527	0.444	15	108.7647	0.154	19	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3452	0.039	4	108.3452	0.002	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.9330	0.027	2	107.9330	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0810	0.112	4	109.0810	0.013	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]Zr)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]Zr)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8485	0.023	2	108.8485	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9633	0.373	4	108.9633	0.139	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8544	0.674	25	108.8544	0.454	25	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8025	0.018	2	108.8025	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4848	1.704	6	108.4848	2.902	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.8185	0.064	2	107.8185	0.004	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.2940	0.054	2	108.2940	0.003	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.9572	0.366	6	108.9572	0.134	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2287	0.279	4	109.2287	0.078	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.2580	0.000	1	108.2580	0.000	1	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.2660	0.025	2	108.2660	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.2350	0.018	2	108.8890	0.199	9	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7901	0.463	7	108.8890	0.199	9	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7730	0.024	2	108.7730	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[5]HH){1|C<3>,2|F<1>}	H(CC[6a]C[5]H)	108.3255	0.032	2	108.3255	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.3115	0.008	2	109.3115	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.5995	0.059	2	108.5695	0.043	45	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5637	0.217	41	108.5695	0.043	45	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|N<2>,2|H<1>}	H(CC[6a]C[5]H)	108.6595	0.045	2	108.5695	0.043	45	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6493	0.055	6	108.6493	0.003	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9347	0.364	8	108.9347	0.132	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4996	0.349	9	108.4996	0.122	9	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8192	0.102	4	108.8192	0.010	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.8155	0.011	2	108.6968	0.099	14	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7486	0.324	10	108.6968	0.099	14	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|N<2>,2|H<1>}	H(CC[6a]C[5]H)	108.3190	0.047	2	108.6968	0.099	14	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7700	0.000	2	108.7700	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7786	0.279	5	108.7786	0.078	5	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5255	0.325	11	108.5255	0.106	11	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6265	0.013	2	108.6265	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|F<1>}	H(CC[6a]C[5]H)	108.8655	0.005	2	108.8015	0.018	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7110	0.137	4	108.8015	0.018	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.9185	0.019	2	108.8015	0.018	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4024	0.266	9	108.4024	0.071	9	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4775	0.016	2	108.4775	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7720	0.061	2	108.7720	0.004	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Co)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Co)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.8734	1.014	11	108.8734	1.028	11	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.8464	0.379	20	107.8464	0.143	20	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	108.9610	0.013	2	108.9610	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6462	0.040	4	108.6462	0.002	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|C<4>}	H(CC[6a]C[5]H)	109.0287	0.853	3	108.4742	0.258	34	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4206	0.449	31	108.4742	0.258	34	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6327	0.744	7	108.6327	0.554	7	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Mo)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Mo)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7160	0.485	12	108.7160	0.235	12	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6722	0.334	8	108.6722	0.112	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Os)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Os)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3775	0.078	2	108.3775	0.006	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.8392	0.659	8	108.8392	0.434	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|F<1>}	H(CC[6a]C[5]H)	107.0355	0.310	4	107.0355	0.096	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2722	0.073	4	109.2722	0.005	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]P)(C[6a]N[6a]F)(CC[5]HH){1|C<3>,1|F<1>}	H(CC[6a]C[5]H)	107.9540	0.038	2	107.9540	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.8558	1.052	4	108.8558	1.106	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7512	0.145	6	108.7512	0.021	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9515	0.026	2	108.9515	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	110.0245	1.496	2	110.3869	6.490	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	110.5077	2.927	6	110.3869	6.490	8	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.4540	0.007	2	108.4540	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.3895	0.026	2	108.3895	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5767	0.866	60	108.5767	0.750	60	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4130	0.000	1	108.4130	0.000	1	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.2460	0.021	2	109.2460	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4569	0.108	10	108.4569	0.012	10	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1405	0.008	2	109.1405	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.1785	3.067	2	108.1785	9.405	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[5]H)	108.9920	0.007	2	108.9282	0.522	382	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.3240	0.031	2	108.9282	0.522	382	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9257	0.727	377	108.9282	0.522	382	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.9430	0.000	1	108.9282	0.522	382	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7528	0.249	22	108.7528	0.062	22	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7655	0.090	2	108.7655	0.008	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.3796	1.344	10	109.3796	1.806	10	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0405	0.035	2	109.0405	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.6585	0.039	2	109.4422	5.864	20	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.5293	2.544	18	109.4422	5.864	20	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1910	0.008	2	109.1910	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]C[5]H)	107.9645	0.042	2	107.9645	0.002	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	107.6170	0.031	2	107.6170	0.001	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.9330	0.062	2	108.9330	0.004	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0792	0.844	18	109.0792	0.712	18	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9425	0.062	2	108.9425	0.004	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7383	0.161	3	108.7383	0.026	3	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.2630	0.175	4	108.2630	0.031	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.1570	0.010	2	109.0079	0.491	16	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9866	0.750	14	109.0079	0.491	16	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7587	0.041	3	108.7587	0.002	3	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3737	0.144	3	108.3737	0.021	3	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.9075	0.005	2	107.9075	0.000	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3320	0.720	2	108.3320	0.518	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2815	0.070	2	109.2815	0.005	2	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9926	0.637	16	108.9926	0.406	16	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	109.2188	0.098	4	109.0772	0.054	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7940	0.004	2	109.0772	0.054	6	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.2660	0.046	4	109.2660	0.002	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8830	0.192	4	108.8830	0.037	4	108.7908	0.634	1054	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:C[6a]-3:H-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[6a](C[6a]C[6a]H)2(CC[5]HI)	H(CC[6a]C[5]I)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[6a](C[6a]C[6a]H)2(CC[5]HI){1|C<3>,2|H<1>}	H(CC[6a]C[5]I)	108.0530	0.290	2	108.0530	0.084	2	108.0530	0.084	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	107.9010	0.651	2	107.9010	0.423	2	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	107.8115	0.037	2	107.8115	0.001	2	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.9190	0.000	1	108.9190	0.000	1	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.7405	0.472	10	108.7405	0.223	10	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	106.7770	1.554	4	106.7770	2.416	4	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.7710	0.030	2	108.7710	0.001	2	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH){1|H<1>,2|O<2>,3|C<3>}	H(CC[6,6]C[6a]H)	107.6220	0.899	2	107.6220	0.809	2	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.9340	2.304	24	108.9340	5.311	24	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.9275	0.155	4	108.9275	0.024	4	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	108.3925	0.016	2	108.3925	0.000	2	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH)	H(CC[6,6]C[6a]H)	C(C[6,6]Ga[3x6]2Si)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6,6]HH){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]H)	107.4597	0.215	3	107.4597	0.046	3	108.5166	2.860	56	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	H(CC[6a]C[6]Cl)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[6]Cl)	107.2975	0.026	2	107.2975	0.001	2	106.9130	0.646	4	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	H(CC[6a]C[6]Cl)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[6]Cl)	107.3490	0.000	1	107.3490	0.000	1	106.9130	0.646	4	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH)	H(CC[6a]C[6]Cl)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(Cl)(H)	C[6a](C[6a]C[6a]H)2(CC[6]ClH){1|C<3>,2|H<1>}	H(CC[6a]C[6]Cl)	105.7080	0.000	1	105.7080	0.000	1	106.9130	0.646	4	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>}	H(CC[6a]C[6]H)	108.8316	0.140	5	108.8316	0.020	5	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2025	0.052	2	108.2025	0.003	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8475	0.049	2	108.8475	0.002	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	107.8480	0.034	2	107.8480	0.001	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5400	0.000	1	108.5400	0.000	1	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5141	0.258	8	108.5141	0.066	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1633	0.835	4	108.1633	0.697	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5133	0.391	6	108.5133	0.153	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.0185	0.105	2	109.0185	0.011	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6525	0.039	2	108.6525	0.002	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	107.6473	0.048	3	107.6473	0.002	3	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6640	0.115	4	108.6640	0.013	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	107.3287	0.548	8	107.3287	0.300	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2600	0.461	6	108.2600	0.213	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6]HH){1|H<1>,2|C<3>}	H(CC[6a]C[6]H)	109.0825	0.148	2	109.0825	0.022	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.8433	0.471	6	108.8433	0.222	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8647	0.192	6	108.8647	0.037	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6a]C[6]H)	108.7325	0.091	4	108.7325	0.008	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6a]C[6]H)	108.4720	0.045	4	108.4720	0.002	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2725	0.016	2	108.2725	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1935	0.324	6	108.1935	0.105	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.5033	0.112	3	108.2492	0.046	13	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1730	0.174	10	108.2492	0.046	13	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,2|O<2>,3|C<3>}	H(CC[6a]C[6]H)	107.7470	0.035	2	107.7470	0.001	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	H(CC[6a]C[6]H)	108.6795	0.021	2	108.6795	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]C[6]H)	107.6135	0.016	2	107.6135	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.3770	0.067	4	109.3770	0.004	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.3926	0.296	16	108.3926	0.088	16	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.0473	0.492	7	108.0473	0.242	7	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.2230	0.069	2	109.2230	0.005	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2095	0.022	2	108.2095	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.0005	0.057	4	109.0005	0.003	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.2603	0.553	3	109.2603	0.306	3	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5740	0.100	2	108.5740	0.010	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.7945	0.056	2	108.7945	0.003	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.5550	0.245	13	108.7177	0.143	23	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.9292	0.426	10	108.7177	0.143	23	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2935	0.062	2	108.2935	0.004	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.3365	0.015	2	108.3365	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Co)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]2Co)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.9770	0.051	2	108.9770	0.003	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.4470	0.055	2	109.4470	0.003	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	108.5352	0.188	4	108.5352	0.035	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.8610	0.014	2	108.7218	0.043	18	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7044	0.215	16	108.7218	0.043	18	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	110.0697	0.105	3	110.0697	0.011	3	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]HH){1|H<1>,2|C<3>}	H(CC[6a]C[6]H)	108.7430	0.008	2	108.7430	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	109.2710	0.049	2	109.2710	0.002	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CC[6]HH){1|C<3>,2|F<1>}	H(CC[6a]C[6]H)	108.8285	0.016	2	108.8285	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.9000	0.006	2	108.9000	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]H)	106.6860	0.287	5	108.8500	0.393	231	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8979	0.542	226	108.8500	0.393	231	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	109.0532	0.481	4	108.7219	0.233	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.2775	0.059	2	108.7219	0.233	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|O<2>}	H(CC[6a]C[6]H)	108.5035	0.022	2	108.7219	0.233	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5225	0.043	2	108.5225	0.002	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.3050	0.120	4	108.3050	0.014	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]H)	108.9435	0.012	2	108.9435	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7473	0.447	3	108.7473	0.200	3	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	110.1120	1.497	3	110.1120	2.240	3	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]C[6]H)	108.6370	0.018	2	108.7932	0.064	16	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8155	0.263	14	108.7932	0.064	16	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5262	0.418	6	108.5262	0.174	6	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.1018	0.355	4	108.1018	0.126	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.6722	0.054	4	108.6722	0.003	4	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.5909	0.704	8	108.5909	0.495	8	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7925	0.029	2	108.7925	0.001	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.9315	0.356	11	108.9315	0.127	11	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.7205	0.012	2	108.7205	0.000	2	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH)	H(CC[6a]C[6]H)	C(C[6]N[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6a]C[6]H)	108.8806	0.205	5	108.8806	0.042	5	108.7119	0.356	521	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.2270	0.000	1	108.2270	0.000	1	108.2760	0.081	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.4983	0.167	3	108.4983	0.028	3	108.2760	0.081	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)(O)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.9670	0.079	2	107.9670	0.006	2	108.2760	0.081	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	In[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(In[4]P[4]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CIn[4]HH)	H(CC[6a]In[4]H)	C(In[4]P[4]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CIn[4]HH){1|C<3>,2|H<1>}	H(CC[6a]In[4]H)	108.7535	1.368	4	108.7535	1.872	4	108.7535	1.872	4	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	109.3470	0.038	2	109.3470	0.001	2	108.5213	0.243	9	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN)	H(CC[6a]HN)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHN){1|C<3>,2|H<1>}	H(CC[6a]HN)	108.2854	0.178	7	108.2854	0.032	7	108.5213	0.243	9	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(CN[3x6]HH){1|F<1>,2|C<3>}	H(CN[3x6]C[6a]H)	108.6440	0.040	2	108.6440	0.002	2	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[3x6]HH){1|C<3>,2|H<1>}	H(CN[3x6]C[6a]H)	108.3680	0.033	2	108.3680	0.001	2	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(CN[3x6]HH){1|C<3>,2|C<4>}	H(CN[3x6]C[6a]H)	108.3308	0.103	4	108.3308	0.011	4	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH){1|C<3>,2|F<1>}	H(CN[3x6]C[6a]H)	108.6430	0.024	4	108.5957	0.008	10	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CN[3x6]HH){1|C<3>,2|H<1>}	H(CN[3x6]C[6a]H)	108.5642	0.101	6	108.5957	0.008	10	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH){1|C<3>,2|H<1>}	H(CN[3x6]C[6a]H)	108.6260	0.027	2	108.6260	0.001	2	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|F<1>}	H(CN[3x6]C[6a]H)	108.5510	0.335	6	108.4805	0.073	26	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[3x6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH)	H(CN[3x6]C[6a]H)	C(N[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[3x6]HH){1|C<3>,2|H<1>}	H(CN[3x6]C[6a]H)	108.4594	0.254	20	108.4805	0.073	26	108.5011	0.050	46	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]H)	110.3196	1.987	5	110.3196	3.949	5	110.1609	2.992	7	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]H)	109.7640	1.310	2	109.7640	1.715	2	110.1609	2.992	7	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4150	0.000	1	108.4150	0.000	1	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0705	0.040	2	109.0705	0.002	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8120	0.000	1	108.8120	0.000	1	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2361	0.248	19	109.2059	0.060	25	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0885	0.018	2	109.2059	0.060	25	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){2|Cl<1>,1|C<3>}	H(CC[6a]N[5]H)	109.1215	0.301	4	109.2059	0.060	25	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0725	0.008	2	109.0725	0.000	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.8705	0.066	6	108.8705	0.004	6	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|Br<1>,1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.8005	0.109	4	108.9872	0.317	14	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.0619	0.658	10	108.9872	0.317	14	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8080	4.357	2	108.8080	18.985	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Mg)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Mg)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7905	0.030	2	108.7905	0.001	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4516	0.090	5	108.4516	0.008	5	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9630	0.259	4	108.9630	0.067	4	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7120	0.195	4	108.7120	0.038	4	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6449	0.301	47	108.6467	0.087	55	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6579	0.283	8	108.6467	0.087	55	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3110	0.006	2	108.3110	0.000	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]2Rh)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.5740	0.000	1	108.5740	0.000	1	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.3975	0.023	2	109.3975	0.001	2	108.8314	0.298	128	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]B[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.4895	0.035	2	108.4895	0.001	2	108.6999	0.048	9	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6,6]HH){1|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	108.7600	0.211	7	108.7600	0.045	7	108.6999	0.048	9	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]B[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	110.3465	1.809	2	110.3465	3.274	2	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]B[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	110.7600	0.798	2	110.7600	0.636	2	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.8593	0.444	4	109.8593	0.197	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.0461	0.215	27	109.0461	0.046	27	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.7495	0.012	2	108.7495	0.000	2	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Al)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	107.8460	0.520	3	107.8460	0.270	3	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Bi)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Bi)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.0751	0.234	13	109.0751	0.055	13	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){2|Cl<1>,1|C<3>}	H(CC[6a]N[6]H)	108.0113	0.410	3	108.0113	0.168	3	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Cu)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3783	0.139	3	109.3783	0.019	3	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Fe)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.6715	0.245	4	108.6715	0.060	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Ni)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	110.0305	0.101	13	110.0305	0.010	13	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.9185	0.015	2	109.8298	0.012	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CN[6]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.7410	0.059	2	109.8298	0.012	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.6835	0.162	27	109.6869	0.024	29	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.7335	0.011	2	109.6869	0.024	29	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Re)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Re)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0403	0.462	16	109.0403	0.214	16	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Sb)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Sb)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.2710	0.229	15	109.2710	0.053	15	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6]2Te)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]2Te)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.7447	0.325	4	109.7447	0.106	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	N[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH)	H(CC[6a]N[6]H)	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.4390	0.421	4	108.4390	0.178	4	109.3165	0.367	148	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]C[5]Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(PC[6a]C[5]Ru)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	110.7905	0.030	2	110.7905	0.001	2	109.8240	0.776	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]C[6]Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	H(CC[6a]HP)	C(PC[6a]C[6]Ir)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	109.8580	0.023	2	109.8580	0.001	2	109.8240	0.776	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	H(CC[6a]HP)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	H(CC[6a]HP)	108.8235	0.064	2	108.8235	0.004	2	109.8240	0.776	6	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[4]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[4]C[4]2Mo)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH)	H(CC[6a]P[4]H)	C(P[4]C[4]2Mo)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[4]HH){1|C<3>,2|H<1>}	H(CC[6a]P[4]H)	108.3760	0.336	8	108.3760	0.113	8	108.3760	0.113	8	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5,5]HH)	H(CP[5,5]C[6a]H)	C(P[5,5]C[5,5,6]2S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5,5]HH){1|C<3>,2|H<1>}	H(CP[5,5]C[6a]H)	111.3940	3.824	2	111.3940	14.623	2	111.3940	14.623	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CP[5]FH)	H(CC[6a]P[5]F)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CP[5]FH){1|H<1>,2|C<3>}	H(CC[6a]P[5]F)	108.2340	0.000	1	108.2340	0.000	1	108.4208	0.068	5	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH)	H(CC[6a]P[5]F)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH){1|C<3>,2|H<1>}	H(CC[6a]P[5]F)	108.3150	0.348	2	108.4675	0.077	4	108.4208	0.068	5	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH)	H(CC[6a]P[5]F)	C(P[5]N[5]O[5]O)(C[6a]C[6a]2)(F)(H)	C[6a](C[6a]C[6a]H)2(CP[5]FH){1|H<1>,2|C<3>}	H(CC[6a]P[5]F)	108.6200	0.127	2	108.4675	0.077	4	108.4208	0.068	5	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(CP[5]HH){1|C<3>,2|F<1>}	H(CC[6a]P[5]H)	108.9513	0.154	3	108.9513	0.024	3	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	H(CC[6a]P[5]H)	108.7565	0.632	6	108.7225	0.290	8	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,5a]2C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|O<2>}	H(CC[6a]P[5]H)	108.6205	0.045	2	108.7225	0.290	8	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]2O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	H(CC[6a]P[5]H)	108.7530	0.136	4	108.7530	0.018	4	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,6a]C[5]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]C[5]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	H(CC[6a]P[5]H)	108.5815	0.022	2	108.5815	0.000	2	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH)	H(CC[6a]P[5]H)	C(P[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[5]HH){1|C<3>,2|H<1>}	H(CC[6a]P[5]H)	108.5575	0.013	2	108.5575	0.000	2	108.7328	0.132	19	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CP[6,6]HH){1|C<3>,2|H<1>}	H(CP[6,6]C[6a]H)	108.1347	0.452	3	108.1347	0.204	3	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(CP[6,6]HH){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	H(CP[6,6]C[6a]H)	109.1915	0.056	2	109.1915	0.003	2	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]C[6,6]Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6,6]HH){1|C<3>,2|H<1>}	H(CP[6,6]C[6a]H)	108.4847	1.216	4	108.4847	1.480	4	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[3x6]C[6,6]Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[3x6]C[6,6]Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6,6]HH){1|C<3>,2|H<1>}	H(CP[6,6]C[6a]H)	108.5773	0.921	4	108.5773	0.849	4	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[6,6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[6,6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CP[6,6]HH){2|H<1>,3|C<3>}	H(CP[6,6]C[6a]H)	109.2957	0.501	4	109.2957	0.251	4	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6,6]C[6,6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CP[6,6]HH)	H(CP[6,6]C[6a]H)	C(P[6,6]C[6,6]2Pt)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CP[6,6]HH){2|H<1>,3|C<3>}	H(CP[6,6]C[6a]H)	108.2485	0.229	4	108.2485	0.052	4	108.6291	0.606	21	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	P[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6]HH)	H(CC[6a]P[6]H)	C(P[6]C[6]2Pd)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CP[6]HH){1|C<3>,2|H<1>}	H(CC[6a]P[6]H)	110.2843	3.646	7	110.2843	13.293	7	110.2843	13.293	7	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:3:4:	4:	Si[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSi[6]HH)	H(CC[6a]Si[6]H)	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSi[6]HH){1|C<3>,2|H<1>}	H(CC[6a]Si[6]H)	107.0925	0.015	2	107.0925	0.000	2	107.0925	0.000	2	108.7712	0.704	2256	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:4:3:	4:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[3,4,3x6]HH)(C[6a]C[6a]H)	H(CC[3,4,3x6]C[6a]H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,3x6])(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[3,4,3x6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(CC[3,4,3x6]C[6a]H)	108.1363	3.880	4	108.1363	15.056	4	108.1363	15.056	4	108.4036	6.553	8	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(CC[5,6,6]HH)(C[6a]C[6a]H)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(CC[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]H)	108.6710	0.208	4	108.6710	0.043	4	108.6710	0.043	4	108.4036	6.553	8	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[3,3,5,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	C[6a](CC[3,3,5,6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(CC[3,3,5,6]C[6a]H)	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	C[6a](CC[3,3,5,6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(CC[3,3,5,6]C[6a]H)	109.6593	0.311	3	109.6593	0.097	3	109.6593	0.097	3	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3,4,3x6]HH)(C[6a]C[6a]H)2	H(CC[3,4,3x6]C[6a]H)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3,4,3x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[3,4,3x6]C[6a]H)	108.6675	0.056	2	108.6675	0.003	2	108.6675	0.003	2	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,5,6]HH)(C[6a]C[6a]H)2	H(CC[5,5,6]C[6a]H)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,5,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,5,6]C[6a]H)	108.5950	0.008	2	108.5950	0.000	2	108.5950	0.000	2	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[5,6,6]C[6a]H)	108.6985	0.044	4	108.6985	0.002	4	108.8711	0.327	34	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]H)	109.0362	0.564	18	109.0362	0.319	18	108.8711	0.327	34	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]H)	108.8683	0.853	6	108.8683	0.728	6	108.8711	0.327	34	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|H<1>}	H(CC[5,6,6]C[6a]H)	108.6412	0.039	4	108.6412	0.001	4	108.8711	0.327	34	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[5,6,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]H)	108.1995	0.016	2	108.1995	0.000	2	108.8711	0.327	34	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:1:1:	4:3:3:	4:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	C[6a](CN[3x5,6]HH)(C[6a]C[6a]H)2	H(CN[3x5,6]C[6a]H)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	C[6a](CN[3x5,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CN[3x5,6]C[6a]H)	107.6710	0.042	2	107.6710	0.002	2	107.6710	0.002	2	108.8480	0.380	43	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5595	1.993	2	109.5595	3.973	2	108.8590	1.399	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	107.9573	0.258	3	107.9573	0.067	3	108.8590	1.399	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	109.5110	0.123	2	109.5110	0.015	2	108.8590	1.399	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3,5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3,5]HO)	H(CC[3,5]C[6a]O)	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3,5]HO){1|C<3>,2|H<1>}	H(CC[3,5]C[6a]O)	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	108.6180	0.000	1	108.6180	0.000	1	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[3]O)	108.3440	0.000	1	108.5823	0.309	4	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	108.6617	0.653	3	108.5823	0.309	4	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	109.8510	0.000	1	109.8510	0.000	1	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[3]O)	108.1350	0.653	2	108.1350	0.427	2	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[3]O)	109.2900	0.000	1	108.9033	0.142	3	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	108.7100	0.246	2	108.9033	0.142	3	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO)	H(CC[6a]C[3]O)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HO){1|C<3>,2|H<1>}	H(CC[6a]C[3]O)	109.6290	0.000	1	109.6290	0.000	1	108.7839	0.415	12	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	H(CC[3x6]C[6a]O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,2|H<1>}	H(CC[3x6]C[6a]O)	107.6850	0.355	2	107.6850	0.126	2	107.1430	0.944	3	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO)	H(CC[3x6]C[6a]O)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[3x6]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[3x6]C[6a]O)	106.0590	0.000	1	106.0590	0.000	1	107.1430	0.944	3	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[4]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	H(CC[6a]C[4]O)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	H(CC[6a]C[4]O)	109.0848	1.026	6	109.0848	1.053	6	108.9102	0.741	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[4]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO)	H(CC[6a]C[4]O)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HO){1|C<3>,2|H<1>}	H(CC[6a]C[4]O)	108.5610	0.236	3	108.5610	0.056	3	108.9102	0.741	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]O)	108.6310	0.000	1	108.6310	0.000	1	108.1333	0.055	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[5,6]C[6a]O)	108.2110	0.000	1	108.2110	0.000	1	108.1333	0.055	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|C<4>}	H(CC[5,6]C[6a]O)	108.0600	0.000	1	108.0077	0.002	3	108.1333	0.055	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HO){1|C<3>,2|O<2>}	H(CC[5,6]C[6a]O)	107.9815	0.022	2	108.0077	0.002	3	108.1333	0.055	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]HO){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]O)	108.0340	0.075	2	108.0340	0.006	2	108.1333	0.055	7	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1100	0.000	1	107.1100	0.000	1	107.5277	0.415	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.8208	0.825	4	107.8208	0.681	4	107.5277	0.415	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3060	0.000	1	107.3060	0.000	1	107.5277	0.415	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.6930	0.000	1	107.6930	0.000	1	107.5277	0.415	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1785	0.663	2	107.1785	0.439	2	107.5277	0.415	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.1300	0.000	1	109.1300	0.000	1	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.2910	0.000	1	109.2910	0.000	1	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	110.0650	0.000	1	110.0650	0.000	1	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.4720	0.000	1	106.4720	0.000	1	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.1450	0.000	1	109.1450	0.000	1	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.4355	0.928	2	109.4355	0.862	2	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN){1|C<3>,2|F<1>}	H(CC[6a]C[5]N)	107.2540	0.444	2	107.2540	0.197	2	108.6091	1.726	9	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]HO){2|C<3>}	H(CC[6a]C[5]O)	109.1230	0.000	1	109.1230	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.9010	0.000	1	107.9010	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.8210	0.000	1	107.8210	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.1660	0.526	2	108.1660	0.277	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.1720	0.000	1	109.1720	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.4537	0.236	4	108.4537	0.055	4	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.4140	0.000	1	109.4140	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.6128	0.313	4	108.6128	0.098	4	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.5267	0.696	3	108.5267	0.485	3	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.5540	0.232	3	108.5540	0.054	3	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.8420	0.099	2	107.8420	0.010	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.7470	0.000	1	107.7470	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.9810	0.092	2	108.9810	0.008	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.8000	0.000	1	108.8000	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	112.9610	0.000	1	112.9610	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.3395	3.409	2	106.3395	11.621	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.3760	0.000	1	108.3760	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.1350	0.000	1	108.1350	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]O)	106.4750	0.223	2	106.7524	0.357	5	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.9373	0.749	3	106.7524	0.357	5	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]HO){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]O)	108.9290	0.000	1	108.9290	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.9852	0.316	6	108.9852	0.100	6	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]HO){1|F<1>,1|H<1>,1|N<2>}	H(CC[6a]C[5]O)	108.9590	0.000	1	108.9590	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.6555	1.134	17	108.6555	1.285	17	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.7740	0.000	1	109.7740	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.7810	0.000	1	108.7810	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]HO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[5]O)	108.6680	0.000	1	108.6680	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.1405	0.094	2	109.1405	0.009	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HO){1|C<3>,2|C<4>}	H(CC[6a]C[5]O)	109.1335	0.664	2	109.1335	0.441	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.2118	1.138	9	109.2118	1.295	9	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]C[5]O)	106.1685	0.021	2	106.1685	0.000	2	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.4088	0.186	5	108.4088	0.035	5	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.4900	0.000	1	108.4900	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.4270	0.000	1	107.4270	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.9700	0.000	1	109.9700	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO)	H(CC[6a]C[5]O)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HO){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	110.0470	0.000	1	110.0470	0.000	1	108.5541	1.396	89	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS)	H(CC[6a]C[5]S)	C(C[5]C[5]2Rh)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS){1|C<3>,2|H<1>}	H(CC[6a]C[5]S)	107.9490	0.000	1	107.9490	0.000	1	107.3385	0.745	2	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[5]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS)	H(CC[6a]C[5]S)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[5]HS){1|C<3>,2|H<1>}	H(CC[6a]C[5]S)	106.7280	0.000	1	106.7280	0.000	1	107.3385	0.745	2	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]N)	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(CC[6,6]C[6a]O)	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	107.4260	0.406	2	107.4260	0.165	2	109.0640	0.859	57	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	108.4887	1.538	3	108.4887	2.366	3	109.0640	0.859	57	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	109.1082	0.842	49	109.1082	0.709	49	109.0640	0.859	57	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	110.0090	0.070	3	110.0090	0.005	3	109.0640	0.859	57	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	108.0650	0.000	1	108.0650	0.000	1	108.5464	0.303	5	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	109.2110	0.000	1	109.2110	0.000	1	108.5464	0.303	5	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO)	H(CC[6,6]C[6a]O)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HO){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]O)	108.4853	0.513	3	108.4853	0.264	3	108.5464	0.303	5	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	109.0380	0.000	1	109.0380	0.000	1	109.3683	0.156	3	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	109.8050	0.000	1	109.8050	0.000	1	109.3683	0.156	3	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	109.2620	0.000	1	109.2620	0.000	1	109.3683	0.156	3	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.8016	1.892	5	108.8016	3.581	5	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)2(CC[6]HO){1|C<3>,2|F<1>}	H(CC[6a]C[6]O)	107.9920	0.000	1	107.9920	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.5450	0.000	1	107.5450	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	109.1060	0.000	1	109.1060	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	107.3260	0.645	2	107.3260	0.416	2	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]2Cr)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.9480	0.000	1	108.9480	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	103.8370	2.011	2	103.8370	4.044	2	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.0530	0.000	1	108.0530	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.4710	0.000	1	108.4710	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.5240	0.877	5	108.5240	0.770	5	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	108.5135	0.480	4	108.5135	0.230	4	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO)	H(CC[6a]C[6]O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HO){1|C<3>,2|H<1>}	H(CC[6a]C[6]O)	109.0760	0.000	1	109.0760	0.000	1	108.0880	2.803	25	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	106.5840	0.000	1	106.5840	0.000	1	106.8167	1.216	4	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	105.6460	0.000	1	105.6460	0.000	1	106.8167	1.216	4	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]HS){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]S)	108.3050	0.000	1	108.3050	0.000	1	106.8167	1.216	4	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	C[6]-4:C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS)	H(CC[6a]C[6]S)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(CC[6]HS){1|C<3>,2|H<1>}	H(CC[6a]C[6]S)	106.7320	0.000	1	106.7320	0.000	1	106.8167	1.216	4	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:2:1:	3:3:4:	4:	Ga[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO)	H(CC[6a]Ga[6]O)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](C[6a]C[6a]H)2(CGa[6]HO){1|C<3>,2|H<1>}	H(CC[6a]Ga[6]O)	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	108.5909	1.635	246	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCCH)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCCH){2|C<3>}	H(CC[6a]CC)	109.1540	0.000	1	109.1540	0.000	1	108.1456	0.474	7	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.9150	0.000	1	106.9150	0.000	1	108.1456	0.474	7	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.0570	0.234	3	108.0570	0.055	3	108.1456	0.474	7	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.3895	0.248	2	108.3895	0.062	2	108.1456	0.474	7	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|C<4>}	H(CC[6a]2C)	107.6390	0.000	1	106.9967	0.552	4	106.9860	0.247	8	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.7827	0.743	3	106.9967	0.552	4	106.9860	0.247	8	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	H(CC[6a]2C)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]2C)	106.9752	0.159	4	106.9752	0.025	4	106.9860	0.247	8	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	H(CC[6a]CN)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	H(CC[6a]CN)	108.2857	1.732	6	108.2857	3.001	6	108.2857	3.001	6	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.0130	0.720	2	107.0130	0.518	2	107.0130	0.518	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:O-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	H(CC[6a]CO)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	H(CC[6a]CO)	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[3]HN)	H(CC[6a]C[3]N)	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[3]HN){2|H<1>,3|C<3>}	H(CC[6a]C[3]N)	106.0690	0.000	1	106.0690	0.000	1	107.2545	0.890	4	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	H(CC[6a]C[3]N)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	H(CC[6a]C[3]N)	108.2110	0.000	1	108.2110	0.000	1	107.2545	0.890	4	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	H(CC[6a]C[3]N)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,2|H<1>}	H(CC[6a]C[3]N)	107.7710	0.000	1	107.7710	0.000	1	107.2545	0.890	4	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[3]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN)	H(CC[6a]C[3]N)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[3]HN){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[3]N)	106.9670	0.000	1	106.9670	0.000	1	107.2545	0.890	4	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[4,5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[4,5]CH)	H(CC[4,5]C[6a]C)	C(C[4,5]C[4,5]C[4]O[5])(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[4,5]CH){1|C<3>,2|H<1>}	H(CC[4,5]C[6a]C)	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[4]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HN)	H(CC[6a]C[4]N)	C(C[4]C[4]O[4]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[4]HN){1|C<3>,2|H<1>}	H(CC[6a]C[4]N)	107.3005	0.056	2	107.3005	0.003	2	107.3005	0.003	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,5]CH)	H(CC[5,5]C[6a]C)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,5]CH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]C)	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH)	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]C)	106.2870	0.000	1	106.2870	0.000	1	105.3365	1.807	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH)	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5,6]C[6a]C)	104.3860	0.000	1	104.3860	0.000	1	105.3365	1.807	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HN)	H(CC[5,6]C[6a]N)	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]HN){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]N)	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9230	0.000	1	106.9230	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.9260	0.354	2	108.9260	0.125	2	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.1480	0.341	2	105.1480	0.116	2	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7520	0.000	1	106.7520	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7095	0.251	2	106.7095	0.063	2	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.6343	0.521	4	106.6343	0.271	4	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.3237	0.551	7	106.3237	0.304	7	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4230	0.000	1	106.4230	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9400	0.000	1	106.9400	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.5607	0.316	3	105.5607	0.100	3	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.8790	0.000	1	106.8790	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.2750	0.000	1	105.2750	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]C)	106.7025	1.149	2	106.7025	1.320	2	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3427	1.112	3	107.3427	1.237	3	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.7350	0.000	1	105.7350	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0570	0.000	1	107.0570	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.2920	0.000	1	107.2920	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9200	0.000	1	106.9200	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	109.1840	0.000	1	109.1840	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.6120	0.150	2	106.6120	0.022	2	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]C)	105.2370	0.000	1	105.2370	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.0380	0.000	1	108.0380	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.8090	0.000	1	106.8090	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.9870	0.000	1	107.9870	0.000	1	106.6943	1.057	42	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	H(CC[6a]C[5]2)	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	H(CC[6a]C[5]2)	106.4175	0.890	2	106.4175	0.793	2	106.4853	0.410	3	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H)	H(CC[6a]C[5]2)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]2H){1|C<3>,2|H<1>}	H(CC[6a]C[5]2)	106.6210	0.000	1	106.6210	0.000	1	106.4853	0.410	3	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.2420	0.000	1	106.2420	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.9840	0.000	1	106.9840	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.6440	0.000	1	107.6440	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.3550	0.000	1	106.3550	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.5147	0.219	3	107.5147	0.048	3	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	108.0100	0.016	2	108.0100	0.000	2	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.9490	0.000	1	106.9490	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	105.7540	0.000	1	105.7540	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.8680	0.000	1	106.8680	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.0560	0.387	3	106.0560	0.150	3	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	108.4458	0.682	4	108.4458	0.466	4	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.1210	0.000	1	109.1210	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	109.6180	0.000	1	109.6180	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.3225	0.128	2	107.5370	0.146	3	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]N)	107.9660	0.000	1	107.5370	0.146	3	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.4310	0.000	1	107.4310	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.9260	0.000	1	106.9260	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.2031	0.566	9	107.2031	0.321	9	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.7960	0.000	1	106.7960	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.4370	0.000	1	107.4370	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.0470	0.000	1	107.0470	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.5300	0.000	1	106.5300	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.1960	0.000	1	106.1960	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.5190	0.000	1	107.5190	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.2120	0.000	1	106.2120	0.000	1	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]F)2(CC[5]HN){1|C<3>,2|F<1>}	H(CC[6a]C[5]N)	106.9010	0.233	2	106.9010	0.054	2	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.6680	0.276	2	107.6680	0.076	2	107.2765	0.751	46	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]N[6]H)	H(CC[6a]C[5]N[6])	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]N[6]H){1|C<3>,2|H<1>}	H(CC[6a]C[5]N[6])	105.3830	0.000	1	105.3830	0.000	1	105.3830	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP)	H(CC[6a]C[5]P)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP){1|C<3>,2|H<1>}	H(CC[6a]C[5]P)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6,6]HN){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CC[6,6]C[6a]N)	109.1560	0.000	1	109.1560	0.000	1	108.9622	0.475	6	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]N)	109.3103	0.761	3	109.3103	0.580	3	108.9622	0.475	6	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]N)	108.4970	0.000	1	108.4970	0.000	1	108.9622	0.475	6	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]HN){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]N)	108.1890	0.000	1	108.1890	0.000	1	108.9622	0.475	6	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HN)	H(CC[6,6]C[6a]N)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]HN){1|C<3>,2|H<1>}	H(CC[6,6]C[6a]N)	108.5400	0.642	2	108.5400	0.412	2	108.5400	0.412	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.2570	0.000	1	107.2570	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	104.9880	0.000	1	104.9880	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.5210	0.000	1	107.5210	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.7270	0.000	1	107.7270	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.3270	0.000	2	106.3270	0.000	2	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	107.8680	0.000	1	107.8680	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	107.0090	0.000	1	107.0090	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.0260	2.099	2	107.0260	4.405	2	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	108.1715	0.450	2	108.1715	0.203	2	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.2090	0.000	1	107.2090	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	108.3530	0.000	1	108.3530	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	111.1140	0.000	1	111.1140	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.4690	0.000	1	106.4690	0.000	1	107.4103	2.021	16	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.4350	0.000	1	107.4350	0.000	1	107.0708	0.100	5	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	107.1275	0.346	2	107.1275	0.120	2	107.0708	0.100	5	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]N)	106.7190	0.000	1	106.7190	0.000	1	107.0708	0.100	5	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	106.9450	0.000	1	106.9450	0.000	1	107.0708	0.100	5	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:3:4:	4:	P[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH)	H(CC[6a]P[5]C)	C(P[5]C[6a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CP[5]CH){1|C<3>,2|H<1>}	H(CC[6a]P[5]C)	105.2245	0.217	2	105.2245	0.047	2	105.2245	0.047	2	107.1855	1.301	159	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H)	H(CC[6,6]C[6a]2)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]2)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.1615	0.309	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]N[5]H)(C[6a]C[6a]H)	H(CC[6,6]C[6a]N[5])	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[6,6]N[5]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]N[5])	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	107.1615	0.309	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C[6a]-3:	C-4:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O)	H(CC[6a]2C[6])	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(CC[6a]C[6]H)(C[6a]N[6a]O){2|C<3>}	H(CC[6a]2C[6])	106.9290	0.841	2	106.9290	0.708	2	106.9290	0.708	2	107.1615	0.309	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2	H(CC[6a]2C[3])	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[3])	108.0670	0.006	2	108.0670	0.000	2	108.0670	0.000	2	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]2)	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]2)	105.3390	0.030	2	105.3390	0.001	2	105.2502	0.011	4	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]2)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[6a](CC[5,6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]2)	105.1615	0.039	2	105.1615	0.002	2	105.2502	0.011	4	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	107.4500	0.000	1	107.4500	0.000	1	106.9790	0.444	2	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2	H(CC[5a]C[6a]C[5])	C(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](CC[5a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5a]C[6a]C[5])	106.5080	0.000	1	106.5080	0.000	1	106.9790	0.444	2	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	107.6790	0.027	2	107.6790	0.001	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6]C[5]Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,6]C[5]Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	107.0493	0.164	4	107.0493	0.027	4	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.6675	0.018	2	105.6675	0.000	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2C[5])	104.9610	0.355	2	104.9892	0.081	4	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.0175	0.336	2	104.9892	0.081	4	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.9020	0.024	2	105.9020	0.001	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C[5])	105.7350	0.000	1	105.7350	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]2C[5])	105.6820	0.000	1	105.6820	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]2Fe)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	107.0370	0.061	2	107.0370	0.004	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Rh)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]2Rh)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	104.8410	6.184	2	104.8410	38.246	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]2Ti)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.4681	0.575	9	106.4681	0.331	9	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.8782	0.502	5	106.8782	0.252	5	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.8640	0.020	2	105.8640	0.000	2	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	106.4517	0.637	7	106.4517	0.406	7	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2	H(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]O)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.9180	0.000	1	105.9180	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(CC[6a]2C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]2C[5])	105.5510	0.000	1	105.5510	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CC[6a]2C[5])	105.5440	0.000	1	105.5440	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2	H(CC[6a]2C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[5])	105.8920	0.000	1	105.8920	0.000	1	106.2601	1.491	47	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2	H(CC[6,6]C[6a]2)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](CC[6,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6,6]C[6a]2)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4305	0.046	2	106.4305	0.002	2	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.8815	0.947	2	106.8815	0.896	2	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	105.1355	0.025	2	105.1355	0.001	2	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(CC[6a]2C[6])	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	H(CC[6a]2C[6])	106.3890	0.000	1	106.3890	0.000	1	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6]2Sr)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	106.4010	0.000	1	106.4010	0.000	1	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	107.3666	2.079	7	107.3666	4.321	7	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2	H(CC[6a]2C[6])	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	C[6a](CC[6a]C[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[6a]2C[6])	107.3600	0.235	2	107.3600	0.055	2	106.8218	2.244	17	106.4194	1.684	73	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	2:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	N[6a]-2:N[6a]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.2930	0.000	1	106.2930	0.000	1	106.2930	0.000	1	106.2930	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH)	H(CB[5a]C[6a]Si)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]F)2(CB[5a]SiH){1|C<3>,2|F<1>}	H(CB[5a]C[6a]Si)	103.9550	0.000	1	103.9550	0.000	1	104.7000	0.425	3	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	B[5a]-4:C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH)	H(CB[5a]C[6a]Si)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(CB[5a]SiH){1|C<3>,2|H<1>}	H(CB[5a]C[6a]Si)	105.0725	0.129	2	105.0725	0.017	2	104.7000	0.425	3	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.9610	0.000	1	107.9610	0.000	1	107.4880	0.742	6	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	106.3210	0.000	1	106.3210	0.000	1	107.4880	0.742	6	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	107.3553	0.662	3	107.3553	0.439	3	107.4880	0.742	6	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	H(CC[6a]CC)	108.5800	0.000	1	108.5800	0.000	1	107.4880	0.742	6	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.6815	0.053	2	106.6815	0.003	2	106.6815	0.003	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH)	H(CC[6a]C[3]C)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH){1|C<3>,2|H<1>}	H(CC[6a]C[3]C)	107.1160	0.000	1	107.1160	0.000	1	107.4690	0.249	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[3]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH)	H(CC[6a]C[3]C)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[3]CH){1|C<3>,2|H<1>}	H(CC[6a]C[3]C)	107.8220	0.000	1	107.8220	0.000	1	107.4690	0.249	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[4]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH)	H(CC[6a]C[4]C)	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH){1|C<3>,2|H<1>}	H(CC[6a]C[4]C)	106.3670	0.000	1	106.3670	0.000	1	106.7165	0.244	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[4]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH)	H(CC[6a]C[4]C)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[4]CH){1|C<3>,2|H<1>}	H(CC[6a]C[4]C)	107.0660	0.000	1	107.0660	0.000	1	106.7165	0.244	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5,5]CH)	H(CC[5,5]C[6a]C)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5,5]CH){1|C<3>,2|H<1>}	H(CC[5,5]C[6a]C)	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5,6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH)	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]CH){1|C<3>,2|H<1>}	H(CC[5,6]C[6a]C)	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.5700	0.000	1	107.5700	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0560	0.744	2	107.0560	0.553	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5385	0.377	2	106.5385	0.142	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7850	0.000	1	106.7850	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5660	0.536	2	106.5660	0.287	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5910	0.000	1	106.5910	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9195	0.134	2	106.9195	0.018	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.0493	0.380	3	106.0493	0.144	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0140	0.000	1	107.0140	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.4710	0.000	1	107.4710	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.1050	0.000	1	108.1050	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.4100	0.000	1	107.4100	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4590	0.000	1	106.4590	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3970	0.000	1	107.3970	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5330	0.180	2	106.5330	0.032	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7570	0.000	1	106.7570	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7220	0.000	1	106.7220	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4560	0.000	1	106.4560	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1120	0.000	1	107.1120	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9673	0.073	3	106.9673	0.005	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1830	0.347	3	107.1830	0.120	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.8810	0.000	1	107.8810	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.8870	0.264	2	106.8870	0.070	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.1110	0.000	1	107.1110	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7870	0.000	1	106.7870	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7857	0.494	3	106.7857	0.244	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0745	0.141	2	107.0745	0.020	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9090	0.000	1	106.9090	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.8635	1.211	6	107.8635	1.468	6	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]CH){1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	105.7970	0.000	1	105.7970	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	106.4920	0.000	1	106.7536	0.326	5	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.8190	0.637	4	106.7536	0.326	5	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3900	0.000	1	107.3900	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0790	0.000	1	107.0790	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3545	0.244	2	107.6723	0.333	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	108.3080	0.000	1	107.6723	0.333	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	109.4680	0.000	1	109.4680	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0347	0.084	3	107.0347	0.007	3	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0074	0.730	5	107.0074	0.533	5	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.2470	0.286	2	106.2470	0.082	2	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.1130	0.000	1	106.1130	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5890	0.000	1	106.5890	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.3910	0.000	1	107.3910	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.6450	0.000	1	106.6450	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]CH){1|Br<1>,1|Cl<1>,1|C<3>}	H(CC[6a]C[5]C)	106.8550	0.000	1	106.8550	0.000	1	107.0075	0.507	76	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	111.1885	4.730	2	111.1885	22.371	2	108.3634	12.686	5	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NLiCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(NLiCC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HN){1|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.1465	1.049	2	106.1465	1.100	2	108.3634	12.686	5	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HN){1|C<3>,2|C<4>}	H(CC[6a]C[5]N)	107.1470	0.000	1	107.1470	0.000	1	108.3634	12.686	5	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP)	H(CC[6a]C[5]P)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP){1|C<3>,2|H<1>}	H(CC[6a]C[5]P)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6,6]-4:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]CH)	H(CC[6,6]C[6a]C)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6,6]CH){1|N<2>,2|C<3>,2|H<1>}	H(CC[6,6]C[6a]C)	106.6010	0.677	2	106.6010	0.459	2	106.6010	0.459	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5975	0.002	2	106.5975	0.000	2	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[6]C)	108.1650	0.000	1	108.1650	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.7900	0.000	1	106.7900	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.6480	0.000	1	107.6480	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.4290	0.528	2	107.4290	0.278	2	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.2970	0.000	1	105.2970	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.1800	0.000	1	107.1800	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.4860	0.441	2	107.4860	0.195	2	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.3787	1.184	4	107.4443	1.222	6	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	107.5755	1.361	2	107.4443	1.222	6	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5500	0.000	1	106.5500	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[6]C)	107.7320	0.000	1	106.7460	0.384	5	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5167	0.399	3	106.7460	0.384	5	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[6a]C[6]C)	106.4480	0.000	1	106.7460	0.384	5	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	105.2460	0.000	1	105.2460	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	106.5220	0.000	1	106.5220	0.000	1	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	H(CC[6a]C[6]C)	107.3160	0.007	2	107.3160	0.000	2	107.0167	0.740	27	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN)	H(CC[6a]C[6]N)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6]HN){1|C<3>,2|H<1>}	H(CC[6a]C[6]N)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH)	H(CN[3,5]C[6a]C)	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH){1|C<3>,2|H<1>}	H(CN[3,5]C[6a]C)	107.3450	0.000	1	107.3450	0.000	1	107.2500	0.018	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH)	H(CN[3,5]C[6a]C)	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH){1|C<3>,2|H<1>}	H(CN[3,5]C[6a]C)	107.1550	0.000	1	107.1550	0.000	1	107.2500	0.018	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[5,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH)	H(CN[5,5]C[6a]C)	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]C)	108.2170	0.000	1	108.2170	0.000	1	107.3440	1.524	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[5,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH)	H(CN[5,5]C[6a]C)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH){1|C<3>,2|H<1>}	H(CN[5,5]C[6a]C)	106.4710	0.000	1	106.4710	0.000	1	107.3440	1.524	2	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	N[6]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	3:3:4:	4:	P-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	H(CC[6a]CP)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	H(CC[6a]CP)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.0417	1.101	136	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[6a](CC[5,6,6]CH)(C[6a]C[6a]H)2	H(CC[5,6,6]C[6a]C)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[6a](CC[5,6,6]CH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5,6,6]C[6a]C)	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5]C)	108.0500	0.000	1	107.7860	0.936	3	105.4747	4.132	13	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.6540	1.329	2	107.7860	0.936	3	105.4747	4.132	13	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	105.0978	1.758	8	105.0978	3.092	8	105.4747	4.132	13	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	103.5155	1.109	2	103.5155	1.231	2	105.4747	4.132	13	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H)	H(CC[3x6]2C[6a])	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[3x6]2H){1|C<3>,2|H<1>}	H(CC[3x6]2C[6a])	102.7455	2.956	2	102.7455	8.740	2	102.7455	8.740	2	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[5]-4:C-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	H(CC[6a]C[5]C)	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4910	1.095	4	106.4910	1.200	4	106.4910	1.200	4	105.4014	4.492	19	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:1:1:	3:3:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[3x3,4,3x5,14x6]HH)	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[3x3,4,3x5,14x6]HH){2|H<1>,5|C<3>}	H(CC[3x3,4,3x5,14x6]C[6a]H)	108.0795	0.046	2	108.0795	0.002	2	108.0795	0.002	2	108.0795	0.002	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:1:1:	4:3:3:	4:	B[4x3,4,4]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]2)(C[6a]C[6a]2)(H)2	C[6a](CB[4x3,4,4]HH)(C[6a]C[6a]H)2	H(CB[4x3,4,4]C[6a]H)	C(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]2)(C[6a]C[6a]2)(H)2	C[6a](CB[4x3,4,4]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CB[4x3,4,4]C[6a]H)	109.0126	0.395	12	109.0126	0.156	12	109.0126	0.156	12	109.0768	5.178	36	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:1:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,4,3x5,14x6]HH)(C[6a]C[6a]H)2	H(CC[3x3,4,3x5,14x6]C[6a]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,4,3x5,14x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]H)	109.3463	3.009	20	109.3463	9.054	20	109.3463	9.054	20	109.0768	5.178	36	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:1:1:	4:3:3:	4:	C[3x3,5,5,8x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,5,5,8x6]HH)(C[6a]C[6a]H)2	H(CC[3x3,5,5,8x6]C[6a]H)	C(C[3x3,5,5,8x6]B[3x3,5,5,8x6]B[5x3,3x5,6,6]B[5x3,5,5,5x6]B[3x3,5,6x6])(C[6a]C[6a]2)(H)2	C[6a](CC[3x3,5,5,8x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[3x3,5,5,8x6]C[6a]H)	108.3255	0.033	2	108.3255	0.001	2	108.3255	0.001	2	109.0768	5.178	36	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:1:1:	4:3:3:	4:	C[4x3,4x5,4x6]-5:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[6a](CC[4x3,4x5,4x6]HH)(C[6a]C[6a]H)2	H(CC[4x3,4x5,4x6]C[6a]H)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6a]C[6a]2)(H)2	C[6a](CC[4x3,4x5,4x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[4x3,4x5,4x6]C[6a]H)	107.5180	0.023	2	107.5180	0.001	2	107.5180	0.001	2	109.0768	5.178	36	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:2:1:	4:3:2:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.4350	0.539	4	108.4350	0.291	4	108.4350	0.291	4	108.4350	0.291	4	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:2:1:	4:3:3:	4:	C[3,3,5,4x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	C[6a](CC[3,3,5,4x6]HO)(C[6a]C[6a]H)2	H(CC[3,3,5,4x6]C[6a]O)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	C[6a](CC[3,3,5,4x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[3,3,5,4x6]C[6a]O)	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	109.5460	1.131	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:2:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2	H(CC[3x3,4,3x5,14x6]C[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(OH)(H)	C[6a](CC[3x3,4,3x5,14x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]O)	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	109.5460	1.131	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:3:1:	4:3:2:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[3x3,4,3x5,14x6]C[6a]N)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])(NCC)(H)	C[6a](CC[3x3,4,3x5,14x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[3x3,4,3x5,14x6]C[6a]N)	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	5:3:3:1:	4:3:3:	4:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2	H(CSi[4,4]C[6a]2)	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	C[6a](CSi[4,4]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CSi[4,4]C[6a]2)	105.4215	0.634	2	105.4215	0.402	2	105.4215	0.402	2	105.4215	0.402	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	3:3:4:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH){2|H<1>,5|C<3>}	H(CC[5x3,5x5,20x6]C[6a]H)	107.8631	0.209	9	107.8631	0.044	9	107.8631	0.044	9	108.0979	0.917	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	3:3:4:	4:	Nb[3,4]-6:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(Nb[3,4]C[3,6]C[3]N[4]2N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CNb[3,4]HH)	H(CNb[3,4]C[6a]H)	C(Nb[3,4]C[3,6]C[3]N[4]2N)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CNb[3,4]HH){1|C<3>,2|H<1>}	H(CNb[3,4]C[6a]H)	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	108.0979	0.917	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	3:3:4:	4:	Nb[3x6]-6:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(Nb[3x6]N[5,6,6]3ClN)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CNb[3x6]HH)	H(CNb[3x6]C[6a]H)	C(Nb[3x6]N[5,6,6]3ClN)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CNb[3x6]HH){1|C<3>,2|H<1>}	H(CNb[3x6]C[6a]H)	107.6655	0.022	2	107.6655	0.000	2	107.6655	0.000	2	108.0979	0.917	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]H)	107.9885	0.056	2	107.9885	0.003	2	107.9885	0.003	2	107.9885	0.003	2	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	H(CB[5x3,5x5,20x6]C[6a]H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CB[5x3,5x5,20x6]C[6a]H)	108.5767	0.227	6	108.5767	0.052	6	108.5767	0.052	6	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	B[6x3,4,4]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	C[6a](CB[6x3,4,4]HH)(C[6a]C[6a]H)2	H(CB[6x3,4,4]C[6a]H)	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	C[6a](CB[6x3,4,4]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CB[6x3,4,4]C[6a]H)	109.0209	0.402	12	109.0209	0.162	12	109.0209	0.162	12	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:Cl-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]Cl)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]Cl)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(CC[5x3,5x5,20x6]C[6a]H)	107.8715	0.015	2	107.8715	0.000	2	108.0809	0.257	15	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]H)	107.9984	0.731	5	107.9984	0.535	5	108.0809	0.257	15	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]H)	108.1848	0.423	8	108.1848	0.179	8	108.0809	0.257	15	108.4737	0.402	34	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	3:4:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C[6a,6a]-3:C-4:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:2:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:N[6a]-2:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(CC[5x3,5x5,20x6]C[6a]O)	107.9643	0.230	3	107.9643	0.053	3	107.9643	0.053	3	107.9643	0.053	3	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	109.1330	0.000	1	108.0834	0.647	5	108.0785	0.288	12	108.0785	0.288	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	107.8210	0.635	4	108.0834	0.647	5	108.0785	0.288	12	108.0785	0.288	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	108.0750	0.311	7	108.0750	0.097	7	108.0785	0.288	12	108.0785	0.288	12	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]N)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.7304	0.552	7	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	108.5635	0.056	2	108.5635	0.003	2	107.7480	0.659	6	107.7304	0.552	7	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	107.7820	0.016	2	107.6570	0.047	3	107.7480	0.659	6	107.7304	0.552	7	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	107.4070	0.000	1	107.6570	0.047	3	107.7480	0.659	6	107.7304	0.552	7	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:2:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]O)	106.3900	0.000	1	106.3900	0.000	1	107.7480	0.659	6	107.7304	0.552	7	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:3:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:N[6a]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	H(CC[5x3,5x5,20x6]C[6a]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]N)	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	H(CC[5x3,5x5,20x6]C[6a]N)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(CC[5x3,5x5,20x6]C[6a]N)	104.3170	0.000	1	104.3170	0.000	1	104.3170	0.000	1	104.3170	0.000	1	109.1441	1.302	218346	109.1441	1.302	218346
490	643	951	0:SP3_SP-NON_SP2	C	C[6a]	H	7:3:1:1:	4:3:3:	4:	Nb[3,3x6]-7:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	C-4:	C(Nb[3,3x6]N[5,6,6]3C[3]3)(C[6a]C[6a]2)(H)2	C[6a](CNb[3,3x6]HH)(C[6a]C[6a]H)2	H(CNb[3,3x6]C[6a]H)	C(Nb[3,3x6]N[5,6,6]3C[3]3)(C[6a]C[6a]2)(H)2	C[6a](CNb[3,3x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	H(CNb[3,3x6]C[6a]H)	103.6430	0.033	2	103.6430	0.001	2	103.6430	0.001	2	103.6430	0.001	2	109.1441	1.302	218346	109.1441	1.302	218346