490	217	542	0:SP3_SP2_SP2	C	N[6a]	N[5]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	N[5](C[5]C[5,6a]O)2(CN[6a]HH)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(CN[6a]HH){2|C<3>}	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.2360	0.772	3	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.2170	0.000	1	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.7020	0.000	1	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.6540	0.000	1	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	110.3940	0.000	1	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.8070	0.000	1	111.9352	0.644	8	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:2:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.4917	0.875	3	112.4917	0.766	3	112.0870	0.671	11	112.0870	0.671	11	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:2:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6a]HH){1|C<3>,2|H<1>}	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.1750	0.000	1	112.1750	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.0250	0.000	1	112.0250	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.3395	1.392	2	112.3395	1.938	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|N<2>,2|H<1>}	111.2190	0.000	1	111.2190	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.1150	0.000	1	114.1150	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.9470	0.000	1	112.9470	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.5420	0.765	2	115.5420	0.585	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.0620	0.000	1	114.0620	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.4590	0.000	1	115.4590	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	112.7910	0.000	1	112.7910	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	109.8640	0.000	1	111.8247	3.795	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.8050	1.351	2	111.8247	3.795	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.2184	1.269	5	113.1197	1.103	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|N<2>,2|H<1>}	112.8730	0.035	2	113.1197	1.103	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	116.0760	0.000	1	116.0760	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.8927	0.973	7	113.8927	0.948	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.4520	0.000	1	113.9080	0.592	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.3640	0.000	1	113.9080	0.592	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.0670	0.000	1	114.0670	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[6a]HH){2|C<3>}	113.0367	0.647	3	113.0367	0.419	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.3180	0.000	1	112.3630	1.506	8	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.0650	0.000	1	112.3630	1.506	8	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.8990	1.131	5	112.3630	1.506	8	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.0260	0.000	1	112.3630	1.506	8	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|H<1>,2|C<3>}	113.0660	0.000	1	113.0660	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.9518	0.716	5	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.0320	0.000	1	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){3|C<3>}	112.2460	0.000	1	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.1160	2.179	2	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.7735	0.322	2	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|Cl<1>,1|C<3>,1|H<1>}	114.2180	0.000	1	112.7528	1.358	12	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|C<4>}	112.2575	0.705	2	112.2575	0.497	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.6100	0.000	1	114.2703	0.236	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.1005	0.547	2	114.2703	0.236	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	113.3030	0.000	1	113.3030	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.0840	0.000	1	115.0840	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,1|F<1>,1|H<1>}	113.1487	0.052	3	112.8454	1.692	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	112.6180	1.795	4	112.8454	1.692	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.8157	0.940	7	114.8157	0.883	7	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,1|C<4>,1|H<1>}	114.0180	2.539	2	114.0180	6.444	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]HH){1|C<3>,1|H<1>,1|O<2>}	113.3240	1.660	3	113.3240	2.756	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.2387	1.207	3	112.3913	4.838	10	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|H<1>,2|C<3>}	107.5280	0.000	1	112.3913	4.838	10	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,1|C<4>,1|H<1>}	112.5475	0.725	2	112.3913	4.838	10	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|C<4>}	112.9080	2.572	3	112.3913	4.838	10	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.8500	0.000	1	112.3913	4.838	10	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.7460	0.000	1	113.7610	0.902	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.2685	0.508	2	113.7610	0.902	3	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	110.9655	1.684	2	110.9655	2.835	2	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.0640	0.000	1	115.0640	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.2330	0.000	1	112.2330	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.8570	0.000	1	113.8570	0.000	1	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.7350	0.000	1	112.3748	1.541	4	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.2547	1.492	3	112.3748	1.541	4	113.1649	2.285	105	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.9120	0.000	1	113.9120	0.000	1	113.9120	0.000	1	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.8390	0.000	1	113.8390	0.000	1	114.5170	0.965	4	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CN[6a]HH){2|H<1>,3|C<3>}	115.9490	0.000	1	115.9490	0.000	1	114.5170	0.965	4	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.1400	0.318	2	114.1400	0.101	2	114.5170	0.965	4	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.1730	0.000	1	113.1730	0.000	1	112.5087	0.829	7	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.8930	0.962	2	112.8930	0.925	2	112.5087	0.829	7	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.7340	0.600	3	111.7340	0.360	3	112.5087	0.829	7	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.4000	0.000	1	113.4000	0.000	1	112.5087	0.829	7	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.6030	0.000	1	114.6030	0.000	1	114.9207	0.782	4	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.0267	1.052	3	115.0267	1.106	3	114.9207	0.782	4	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.4740	0.000	1	113.7005	6.291	2	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	111.9270	0.000	1	113.7005	6.291	2	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.2900	0.000	1	115.2900	0.000	1	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	111.4910	0.000	1	111.5523	0.028	3	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	111.5830	0.225	2	111.5523	0.028	3	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CN[6a]HH){1|C<3>,2|H<1>}	112.8570	2.103	2	112.8570	4.422	2	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.8820	0.274	4	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.2280	0.000	1	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	112.6680	0.000	1	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.2058	1.143	5	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.7300	0.555	7	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.3630	0.000	1	113.6803	0.709	19	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.6875	0.231	2	114.6875	0.053	2	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	114.3655	1.508	2	113.9833	1.576	3	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.2190	0.000	1	113.9833	1.576	3	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	113.5310	0.000	1	113.5310	0.000	1	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HH){1|C<3>,2|H<1>}	115.0465	0.053	2	115.0465	0.003	2	113.6553	1.480	35	113.3288	2.087	157	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH){1|C<3>,2|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-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)(N[6a]C[6a]2)(CCHO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[6a]CH){1|C<3>,2|H<1>}	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	113.0563	1.130	3	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]CH){1|C<3>,2|H<1>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	113.0563	1.130	3	113.2294	2.131	173	113.2294	2.131	173
490	217	643	0:SP3_SP2_SP2	C	N[6a]	C[6a]	3:3:4:1:	3:3:4:	3:3:4:	N[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	C[6a](C[6a]C[6a]H)2(CN[6a]HP)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[6a]HP){1|C<3>,2|H<1>}	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	113.0563	1.130	3	113.2294	2.131	173	113.2294	2.131	173
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH){1|C<3>}	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	112.9180	0.000	1	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	2:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH){2|C<3>}	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<3>}	110.6580	0.000	1	110.6580	0.000	1	112.5210	1.624	4	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	113.1735	0.487	2	113.1735	0.237	2	112.5210	1.624	4	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	113.0790	0.000	1	113.0790	0.000	1	112.5210	1.624	4	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH){1|C<4>,1|H<1>}	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[6a]HH){2|H<1>}	112.2180	0.000	1	112.2180	0.000	1	111.9825	0.111	2	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5,5a]H)(S[5a]C[5,5a])(CN[6a]HH){2|C<4>}	111.7470	0.000	1	111.7470	0.000	1	111.9825	0.111	2	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	110.8720	0.000	1	110.8720	0.000	1	110.1315	1.097	2	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH){2|C<3>}	109.3910	0.000	1	109.3910	0.000	1	110.1315	1.097	2	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	112.0935	0.614	2	112.0935	0.378	2	112.0935	0.378	2	111.8335	1.435	11	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	112.1460	1.464	15	112.1460	1.464	15
490	217	727	0:SP3_SP2_SP2	C	N[6a]	C[5a]	3:3:4:1:	3:3:4:	3:2:4:	C[5a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN[6a]CH){2|C<3>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.1460	1.464	15	112.1460	1.464	15
490	217	762	0:SP3_SP2_SP2	C	N[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	111.2800	0.919	2	111.2800	0.845	2	111.4147	0.760	4	111.4587	0.774	6	111.4587	0.774	6	111.4587	0.774	6
490	217	762	0:SP3_SP2_SP2	C	N[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	110.7240	0.000	1	110.7240	0.000	1	111.4147	0.760	4	111.4587	0.774	6	111.4587	0.774	6	111.4587	0.774	6
490	217	762	0:SP3_SP2_SP2	C	N[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	112.3750	0.000	1	112.3750	0.000	1	111.4147	0.760	4	111.4587	0.774	6	111.4587	0.774	6	111.4587	0.774	6
490	217	762	0:SP3_SP2_SP2	C	N[6a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	111.5465	1.251	2	111.5465	1.565	2	111.5465	1.565	2	111.4587	0.774	6	111.4587	0.774	6	111.4587	0.774	6
490	217	813	0:SP3_SP2_SP2	C	N[6a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1
490	217	856	0:SP3_SP2_SP3	C	N[6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[6a]HH)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)2(CN[6a]HH){1|O<2>,4|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1
490	217	880	0:SP3_SP2_SP3	C	N[6a]	Si	3:4:1:1:	3:2:4:	4:4:4:4:	N[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:C-4:	C(N[6a]C[6a]N[6a])(SiC3)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	Si(CN[6a]HH)(CH3)3	C(N[6a]C[6a]N[6a])(SiC3)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	Si(CN[6a]HH)(CH3)3	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1
490	217	893	0:SP3_SP2_SP2	C	N[6a]	O	3:2:1:1:	3:3:4:	4:3:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	O(CN[6a]HH)(CCO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	O(CN[6a]HH)(CCO)	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:2:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	O(CN[6a]HH)(CCHH)	112.5800	0.000	1	112.5800	0.000	1	112.2763	0.206	3	112.2763	0.206	3	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:2:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CN[6a]HH)(CCHH)	112.4950	0.000	1	112.1245	0.275	2	112.2763	0.206	3	112.2763	0.206	3	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:2:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	O(CN[6a]HH)(CCHH)	111.7540	0.000	1	112.1245	0.275	2	112.2763	0.206	3	112.2763	0.206	3	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	O(CN[6a]HH)(CH3)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	O(CN[6a]HH)(CH3)	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(CN[6a]HH)(CCHH)	111.8400	0.000	1	111.8400	0.000	1	112.1943	0.095	3	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	O(CN[6a]HH)(CCHH)	112.3715	0.047	2	112.3715	0.002	2	112.1943	0.095	3	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	O(C[5]C[5]2H)(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	O(C[5]C[5]2H)(CN[6a]HH)	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	O(CN[6a]HH)(CCHH)	113.5950	0.000	1	113.5950	0.000	1	111.9084	7.518	7	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CN[6a]HH)(CCHH)	113.1750	0.334	2	113.1750	0.111	2	111.9084	7.518	7	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(CC[3]HH)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CN[6a]HH)(CC[3]HH)	112.4735	0.235	2	112.4735	0.055	2	111.9084	7.518	7	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(CH3)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	O(CN[6a]HH)(CH3)	112.6930	0.000	1	112.6930	0.000	1	111.9084	7.518	7	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(CCHH)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	O(CN[6a]HH)(CCHH)	105.7740	0.000	1	105.7740	0.000	1	111.9084	7.518	7	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Si-4:	C(N[6a]C[6a]2)(OSi)(H)2	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	O(CN[6a]HH)(SiC3)	C(N[6a]C[6a]2)(OSi)(H)2	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(CN[6a]HH)(SiC3)	112.4045	0.262	2	112.4045	0.069	2	112.4045	0.069	2	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:2:1:1:	3:3:4:	4:4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C-4:	C(N[6a]C[6a]2)(OC[5,6])(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C(N[6a]C[6a]2)(OC[5,6])(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	111.7845	4.551	15	111.6007	4.938	19	111.6007	4.938	19
490	217	893	0:SP3_SP2_SP3	C	N[6a]	O	3:4:2:1:	3:3:4:	4:4:	N[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	O(CN[6a]CH)(CCHH)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	O(CN[6a]CH)(CCHH)	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	106.8170	0.000	1	111.6007	4.938	19	111.6007	4.938	19
490	217	909	0:SP3_SP2_SP2	C	N[6a]	S	3:2:1:1:	3:3:4:	4:3:	N[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	S(CN[6a]HH)(CNS)	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	S(CN[6a]HH)(CNS)	112.6390	0.000	1	112.6390	0.000	1	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3
490	217	909	0:SP3_SP2_SP2	C	N[6a]	S	3:2:1:1:	3:3:4:	4:3:	N[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	S(CN[6a]HH)(CN[5]S)	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	S(CN[6a]HH)(CN[5]S)	113.4020	0.000	1	113.4020	0.000	1	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3
490	217	909	0:SP3_SP2_SP2	C	N[6a]	S	3:2:1:1:	3:3:4:	4:3:	N[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	S(CN[6a]HH)(CN[6]S)	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	S(CN[6a]HH)(CN[6]S)	114.0540	0.000	1	114.0540	0.000	1	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3	113.3650	0.502	3
490	217	909	0:SP3_SP2_SP3	C	N[6a]	S	3:4:2:1:	3:3:4:	4:4:	N[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	S(CN[6a]CH)(CH3)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	S(CN[6a]CH)(CH3)	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:2:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	N[6]-3:C-4:O-1:	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(O)	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C(N[6]C[6]2)(CN[6a]HH)(O)	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(OC)(O)	112.2550	0.000	1	112.2335	0.001	2	113.0455	1.697	6	113.0455	1.697	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(OC)(O)	112.2120	0.000	1	112.2335	0.001	2	113.0455	1.697	6	113.0455	1.697	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(OH)(O)	113.2247	1.716	3	113.4515	2.170	4	113.0455	1.697	6	113.0455	1.697	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:2:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OH)(O)	114.1320	0.000	1	113.4515	2.170	4	113.0455	1.697	6	113.0455	1.697	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CN[6a]HH)(O)	114.2090	0.000	1	114.2090	0.000	1	114.2090	0.000	1	112.2666	2.165	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(O)	112.6945	1.022	6	112.6945	1.044	6	112.0508	1.912	9	112.2666	2.165	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CN[6a]HH)(O)	109.6590	0.000	1	109.6590	0.000	1	112.0508	1.912	9	112.2666	2.165	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CN[6a]HH)(O)	110.6900	0.000	1	110.6900	0.000	1	112.0508	1.912	9	112.2666	2.165	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	3:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(O)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CN[6a]HH)(O)	111.9410	0.000	1	111.9410	0.000	1	112.0508	1.912	9	112.2666	2.165	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(O)2	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(O)2	112.8700	2.099	2	112.8700	4.405	2	113.1515	1.281	10	113.1515	1.281	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(O)2	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(O)2	112.0447	0.363	3	112.0447	0.131	3	113.1515	1.281	10	113.1515	1.281	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:1:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-1:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	C(CN[6a]HH)(O)2	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(O)2	113.9282	0.055	5	113.9282	0.003	5	113.1515	1.281	10	113.1515	1.281	10	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	C(CN[6a]HH)(OC)(O)	111.0560	0.000	1	111.0560	0.000	1	111.4245	0.272	2	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C(CN[6a]HH)(OC)(O)	111.7930	0.000	1	111.7930	0.000	1	111.4245	0.272	2	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:N-2:H-1:	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(CN[6a]HH)(NN)(H)	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(CN[6a]HH)(NN)(H)	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(OC)(O)	111.6770	0.000	1	111.6770	0.000	1	111.8683	0.526	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(OH)(O)	111.2580	0.000	1	111.2580	0.000	1	111.8683	0.526	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(ONi)(O)	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(ONi)(O)	112.6700	0.000	1	112.6700	0.000	1	111.8683	0.526	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(OC)(O)	115.0050	0.000	1	115.0050	0.000	1	113.6453	1.778	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[6a]HH)(OC)(O)	112.3400	0.000	1	112.3400	0.000	1	113.6453	1.778	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(CN[6a]HH)(OH)(O)	113.5910	0.000	1	113.5910	0.000	1	113.6453	1.778	3	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:O-1:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(NC)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(CN[6a]HH)(NC)(O)	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C(CN[6a]HH)(OC)(O)	109.9310	0.000	1	109.9310	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(CN[6a]HH)(OC)(O)	111.7740	0.464	2	111.7740	0.215	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(CN[6a]HH)(OC)(O)	111.5820	0.000	1	111.5820	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(OH)(O)	111.6315	0.275	2	111.6315	0.076	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(CN[6a]HH)(OC)(O)	111.0133	0.212	3	111.0133	0.045	3	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OH)(O)	111.4210	0.000	1	111.4210	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OMn)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OMn)(O)	112.7750	0.000	1	112.7750	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OZn)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OZn)(O)	114.3620	0.000	1	114.3620	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OC)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(OC)(O)	111.1740	0.000	1	111.1740	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OCd)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(OCd)(O)	114.6840	0.000	1	113.2515	4.104	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OCd)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(OCd)(O)	111.8190	0.000	1	113.2515	4.104	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OCo)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(OCo)(O)	115.2660	0.000	1	115.2660	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(OH)(O)	111.2650	0.000	1	111.6984	3.144	5	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(OH)(O)	110.7950	0.168	3	111.6984	3.144	5	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(OH)(O)	114.8420	0.000	1	111.6984	3.144	5	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OMn)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(OMn)(O)	112.3950	0.000	1	112.3950	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(ONi)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(ONi)(O)	115.0090	0.000	1	115.0090	0.000	1	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(OH)(O)	112.0900	0.000	1	114.6970	13.593	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	C(CN[6a]HH)(OH)(O)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|I<1>}	C(CN[6a]HH)(OH)(O)	117.3040	0.000	1	114.6970	13.593	2	112.3262	3.373	25	112.3627	2.747	35	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:2:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OCu)2	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(OCu)2	112.7310	0.977	5	113.0672	1.442	6	113.0672	1.442	6	113.0672	1.442	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:2:2:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OCu)2	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(OCu)2	114.7480	0.000	1	113.0672	1.442	6	113.0672	1.442	6	113.0672	1.442	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C(CN[6a]HH)(NCH)(O)	111.3010	0.634	2	111.3010	0.401	2	111.3010	0.401	2	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	C(CN[6a]HH)(CHH)(H)	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:N-3:H-1:	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(CN[6a]HH)(NPtN)(H)	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(CN[6a]HH)(NPtN)(H)	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(CN[6a]HH)(CHH)(H)	114.8720	0.000	1	113.7680	0.652	4	113.7680	0.652	4	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(CN[6a]HH)(CHH)(H)	113.8670	0.000	1	113.7680	0.652	4	113.7680	0.652	4	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[6a]HH)(CHH)(H)	113.1665	0.056	2	113.7680	0.652	4	113.7680	0.652	4	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(NCH)(O)	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(CC[5a]H)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C(CN[6a]HH)(CC[5a]H)(H)	112.3660	0.027	2	112.3660	0.001	2	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	C(CN[6a]HH)(CHH)(H)	112.4220	0.000	1	112.4220	0.000	1	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CCH)(H)	111.4690	0.888	3	111.8069	0.791	14	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(CCH)(H)	111.3900	0.418	4	111.8069	0.791	14	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	C(CN[6a]HH)(CCH)(H)	111.2473	0.333	3	111.8069	0.791	14	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(CN[6a]HH)(CCH)(H)	113.4510	0.047	2	111.8069	0.791	14	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(CCH)(H)	112.3425	0.026	2	111.8069	0.791	14	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CC[6a]H)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CC[6a]H)(H)	112.1310	0.000	1	112.1310	0.000	1	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CHH)(H)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	C(CN[6a]HH)(CHH)(H)	111.9650	0.700	2	111.9650	0.490	2	111.9256	0.613	20	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(NCH)(O)	111.3900	0.526	2	111.3900	0.277	2	111.2333	0.930	10	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(NCH)(O)	110.9838	1.102	5	110.9838	1.214	5	111.2333	0.930	10	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(NC[5]C)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(NC[5]C)(O)	112.1955	0.217	2	112.1955	0.047	2	111.2333	0.930	10	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:3:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(NHH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(NHH)(O)	110.2430	0.000	1	110.2430	0.000	1	111.2333	0.930	10	111.9328	1.182	39	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(CN[6a]HH)(CC[6]HH)(O)	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(CN[6a]HH)(CC[6]HH)(O)	114.5200	0.000	1	114.5200	0.000	1	112.4750	4.240	3	112.4750	4.240	3	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:1:1:	3:3:4:	4:4:1:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-1:	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)2(O)	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)2(O)	111.4525	1.486	2	111.4525	2.207	2	112.4750	4.240	3	112.4750	4.240	3	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C(CC[6a]N[6a]H)(CHH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	C(CC[6a]N[6a]H)(CHH)(H)	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(OC)(O)	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(OC)(O)	112.3465	1.183	2	112.3465	1.399	2	111.1333	1.501	6	111.1333	1.501	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(OC)(O)	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(OC)(O)	110.7270	0.040	2	110.7270	0.002	2	111.1333	1.501	6	111.1333	1.501	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C(CN[6a]CH)(OC)(O)	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(CN[6a]CH)(OC)(O)	111.2000	0.000	1	111.2000	0.000	1	111.1333	1.501	6	111.1333	1.501	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:3:1:	3:3:4:	4:2:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(OH)(O)	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C(CN[6a]CH)(OH)(O)	109.4530	0.000	1	109.4530	0.000	1	111.1333	1.501	6	111.1333	1.501	6	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:3:1:	3:3:4:	4:3:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(CHH)(H)	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(CN[6a]CH)(CHH)(H)	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	112.2425	2.223	119	112.2425	2.223	119
490	217	930	0:SP3_SP2_SP2	C	N[6a]	C	3:4:4:3:	3:2:4:	4:3:1:	N[6a]-3:C-4:C-4:C-3:	C[6a]-3:N[6a]-2:C-4:	C-4:N-3:O-1:	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	C(CN[6a]CC)(NC[6]H)(O)	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	C(CN[6a]CC)(NC[6]H)(O)	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	112.2425	2.223	119	112.2425	2.223	119
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:2:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]B[6a]N[6a])(H)3	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]N[6a])(H)3	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4950	0.031	2	109.4950	0.001	2	109.4950	0.001	2	109.4631	0.001	19	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:2:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CN[6a]HH)	109.4685	0.011	2	109.4685	0.000	2	109.4594	0.001	17	109.4631	0.001	19	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:2:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	H(CN[6a]HH)	109.4581	0.032	15	109.4581	0.001	15	109.4594	0.001	17	109.4631	0.001	19	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]B[6a,6a]C[6a,6a])(H)3	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]B[6a,6a]C[6a,6a])(H)3	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(CN[6a]HH)	109.4707	0.029	11	109.4707	0.001	11	109.4707	0.001	11	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	H(CN[6a]HH)	109.4662	0.032	5	109.4662	0.001	5	109.4640	0.001	27	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]Cl)2(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	H(CN[6a]HH)	109.4519	0.033	9	109.4519	0.001	9	109.4640	0.001	27	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	H(CN[6a]HH)	109.4894	0.035	5	109.4894	0.001	5	109.4640	0.001	27	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]N)2(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]2)(H)3	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	H(CN[6a]HH)	109.4605	0.020	8	109.4605	0.000	8	109.4640	0.001	27	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	H(CN[6a]HH)	109.4835	0.031	4	109.4826	0.001	18	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[6a]HH)	109.4793	0.036	6	109.4826	0.001	18	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	109.4648	0.034	5	109.4826	0.001	18	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	H(CN[6a]HH)	109.5173	0.038	3	109.4826	0.001	18	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	H(CN[6a]HH)	109.4200	0.069	4	109.4200	0.005	4	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]B[6a]C[6a])(H)3	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	H(CN[6a]HH)	109.4713	0.017	6	109.4713	0.000	6	109.4712	0.002	28	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]B[6a])(H)3	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]B[6a])(H)3	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CN[6a]HH)	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]2)(H)3	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]2)(H)3	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	H(CN[6a]HH)	109.4788	1.458	16	109.4788	2.127	16	109.4788	2.127	16	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6,6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6,6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	H(CN[6a]HH)	109.4765	0.038	10	109.4765	0.001	10	109.4765	0.001	10	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CN[6a]HH)	109.4830	0.027	3	109.4830	0.001	3	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[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(CN[6a]HH)	109.4800	0.007	2	109.4800	0.000	2	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	H(CN[6a]HH)	109.4950	0.006	2	109.4950	0.000	2	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	H(CN[6a]HH)	109.4501	0.996	41	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	H(CN[6a]HH)	109.5161	0.324	9	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	H(CN[6a]HH)	109.4747	0.190	3	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4986	0.530	24	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[6a]HH)	109.4785	0.038	6	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	H(CN[6a]HH)	109.3657	0.371	3	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	H(CN[6a]HH)	110.6065	4.880	6	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4555	0.069	21	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CN[6a]HH)	109.5147	0.755	6	109.5273	1.499	119	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5,6a]C[6a])(H)3	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	H(CN[6a]HH)	109.4885	0.048	6	109.4885	0.002	6	109.5233	1.350	132	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[6a]HH)	109.4820	0.033	2	109.4820	0.001	2	109.5092	0.844	5	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(H)3	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	H(CN[6a]HH)	109.5273	1.299	3	109.5273	1.686	3	109.5092	0.844	5	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]HH)	109.4731	0.026	7	109.4731	0.001	7	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4490	0.027	3	109.4490	0.001	3	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4834	0.020	5	109.4834	0.000	5	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	H(CN[6a]HH)	109.4857	0.011	3	109.4857	0.000	3	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4117	0.027	3	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(CN[6a]HH)	109.4654	0.098	11	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[6a]HH)	109.4510	0.049	5	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4707	0.848	526	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	H(CN[6a]HH)	108.7693	1.725	6	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4372	1.759	37	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4525	0.029	6	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	H(CN[6a]HH)	109.9068	0.683	8	109.4667	0.851	602	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[5a,6a]C[6a])(H)3	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4730	0.047	3	109.4730	0.002	3	109.4670	0.822	623	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	H(CN[6a]HH)	108.0525	2.986	6	108.5238	6.072	9	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6a]HH)	109.4663	0.014	3	108.5238	6.072	9	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4580	0.100	3	109.4580	0.010	3	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	H(CN[6a]HH)	109.4645	0.019	2	109.4645	0.000	2	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6a]HH)	109.4647	0.032	3	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4747	0.029	3	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	H(CN[6a]HH)	109.4487	0.028	3	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4740	0.020	3	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4625	0.005	2	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4688	0.030	14	109.4669	0.001	28	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	H(CN[6a]HH)	109.4638	0.029	36	109.4642	0.001	53	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6,6a]C[6a])(H)3	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	H(CN[6a]HH)	109.4650	0.035	17	109.4642	0.001	53	109.3757	0.594	95	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6,6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6,6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6a]HH)	109.4613	0.037	7	109.4613	0.001	7	109.4613	0.001	7	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6a]HH)	109.4502	0.026	4	109.4502	0.001	4	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	H(CN[6a]HH)	109.4550	0.034	2	109.4550	0.001	2	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6a]HH)	108.9477	2.236	3	108.9477	4.998	3	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	H(CN[6a]HH)	109.4870	0.000	1	109.4870	0.000	1	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]HH)	108.5777	1.803	3	108.5777	3.250	3	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	H(CN[6a]HH)	109.4721	0.033	15	109.4767	0.001	54	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	H(CN[6a]HH)	109.5047	0.032	3	109.4767	0.001	54	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	H(CN[6a]HH)	109.4636	0.029	5	109.4767	0.001	54	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|S<3>,2|H<1>,4|C<3>}	H(CN[6a]HH)	109.4730	0.050	3	109.4767	0.001	54	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]2)(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6a]HH)	109.4790	0.039	28	109.4767	0.001	54	109.4107	0.296	67	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]HH)	109.1587	1.364	3	109.1587	1.859	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	108.3740	2.900	3	108.3740	8.411	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4710	0.081	3	109.4710	0.006	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	H(CN[6a]HH)	109.4707	0.029	3	109.4707	0.001	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[6a]HH)	109.4695	0.037	11	109.4705	0.001	13	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CN[6a]HH)	109.4765	0.006	2	109.4705	0.001	13	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4702	0.027	30	109.4703	0.001	31	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	109.4710	0.000	1	109.4703	0.001	31	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	110.3798	1.788	6	110.3798	3.195	6	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	H(CN[6a]HH)	109.4687	0.031	7	109.4687	0.001	7	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	H(CN[6a]HH)	107.5738	2.001	6	108.6981	2.334	15	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CN[6a]HH)	109.4673	0.032	3	108.6981	2.334	15	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	109.4377	0.041	6	108.6981	2.334	15	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	H(CN[6a]HH)	109.4877	0.013	3	109.4877	0.000	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]HH)	109.4785	0.029	8	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6a]HH)	108.7915	1.252	16	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]HH)	109.4843	0.038	15	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[6a]HH)	109.4837	0.014	3	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[6a]HH)	109.4847	0.046	3	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	H(CN[6a]HH)	109.4730	0.000	1	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	109.4526	0.641	40	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4703	0.050	3	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	H(CN[6a]HH)	109.6647	1.425	6	109.3646	0.599	95	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]HH)	109.4673	0.011	3	109.4613	0.188	6	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	109.4553	0.685	3	109.4613	0.188	6	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4580	0.031	3	109.4580	0.001	3	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	H(CN[6a]HH)	109.4850	0.007	2	109.4769	0.001	10	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	H(CN[6a]HH)	109.4749	0.040	8	109.4769	0.001	10	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[6a]HH)	109.5124	0.723	20	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	H(CN[6a]HH)	109.4753	0.040	36	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]HH)	109.8412	1.848	14	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	H(CN[6a]HH)	109.4836	0.025	11	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	H(CN[6a]HH)	109.4753	0.034	4	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a,6a]C[6a])(H)3	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	H(CN[6a]HH)	109.4960	0.006	2	109.5442	0.650	87	109.4219	0.701	288	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]HH)	109.0143	1.244	3	109.0143	1.548	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4488	0.897	46	109.7771	4.550	113	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]HH)	109.7308	1.166	58	109.7771	4.550	113	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	H(CN[6a]HH)	109.4720	0.044	6	109.7771	4.550	113	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	116.3143	11.448	3	109.7771	4.550	113	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CN[6a]HH)	109.4623	0.021	3	109.4623	0.000	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4738	0.022	6	109.4738	0.000	6	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CN[6a]HH)	109.4795	0.013	2	109.4795	0.000	2	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	H(CN[6a]HH)	109.4965	0.016	2	109.4965	0.000	2	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4555	0.087	12	109.4318	0.440	541	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]HH)	109.4590	0.584	498	109.4318	0.440	541	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	H(CN[6a]HH)	109.4687	0.011	3	109.4318	0.440	541	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	H(CN[6a]HH)	106.6057	0.414	3	109.4318	0.440	541	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.2144	1.325	25	109.4318	0.440	541	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	H(CN[6a]HH)	109.4601	0.041	19	109.4601	0.002	19	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HH)	109.4890	0.030	3	109.4890	0.001	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	H(CN[6a]HH)	109.4377	0.015	3	109.4377	0.000	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]HH)	109.4480	0.047	3	109.4672	0.002	82	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	H(CN[6a]HH)	109.4390	0.125	6	109.4672	0.002	82	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	H(CN[6a]HH)	109.4705	0.031	72	109.4672	0.002	82	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.4540	0.000	1	109.4672	0.002	82	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	H(CN[6a]HH)	109.4983	0.045	3	109.4983	0.002	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4583	0.019	3	109.4583	0.000	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]H)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]H)2(CH3){3|C<3>}	H(CN[6a]HH)	109.4701	0.038	11	109.4701	0.001	11	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	H(CN[6a]HH)	109.3730	1.962	3	109.8767	6.177	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	H(CN[6a]HH)	110.4852	3.707	6	109.8767	6.177	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	H(CN[6a]HH)	109.4488	0.021	5	109.8767	6.177	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	111.1547	0.709	3	110.3152	1.047	6	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	H(CN[6a]HH)	109.4757	0.025	3	110.3152	1.047	6	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.4720	0.022	3	109.4801	0.001	9	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4770	0.032	3	109.4801	0.001	9	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	H(CN[6a]HH)	109.4913	0.015	3	109.4801	0.001	9	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	H(CN[6a]HH)	109.4840	0.059	8	109.4840	0.003	8	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	H(CN[6a]HH)	109.4652	0.044	5	109.4652	0.002	5	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	H(CN[6a]HH)	109.4660	0.025	2	109.4660	0.001	2	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.6990	0.717	21	109.5377	0.159	71	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	H(CN[6a]HH)	109.4656	0.038	5	109.5377	0.159	71	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.4705	0.032	36	109.5377	0.159	71	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4707	0.038	9	109.5377	0.159	71	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a,6a]O)2(CH3){3|C<3>}	H(CN[6a]HH)	109.4640	0.012	3	109.4640	0.000	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	H(CN[6a]HH)	111.7670	0.077	3	111.7670	0.006	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CN[6a]HH)	109.4283	0.058	3	109.4580	0.002	8	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]HH)	109.4758	0.010	5	109.4580	0.002	8	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CN[6a]HH)	109.4700	0.038	4	109.4700	0.001	4	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HH)	109.4908	0.021	6	109.4776	0.001	9	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4510	0.043	3	109.4776	0.001	9	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]HH)	109.4783	0.033	8	109.4783	0.001	8	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	H(CN[6a]HH)	109.5055	0.023	2	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[6a]HH)	109.4810	0.006	2	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]HH)	109.4637	0.019	15	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]HH)	109.4652	1.498	12	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	H(CN[6a]HH)	109.4815	0.021	6	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4450	0.037	6	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	H(CN[6a]HH)	109.3150	1.184	3	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	H(CN[6a]HH)	109.4720	0.018	3	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	H(CN[6a]HH)	109.4560	0.047	2	109.4577	0.552	51	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HH)	109.3280	1.224	5	109.3947	2.619	57	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	H(CN[6a]HH)	109.6325	1.440	40	109.3947	2.619	57	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	H(CN[6a]HH)	106.9270	3.318	4	109.3947	2.619	57	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	H(CN[6a]HH)	109.4794	0.041	5	109.3947	2.619	57	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CN[6a]HH)	109.4840	0.086	3	109.3947	2.619	57	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HH)	109.4624	0.033	8	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4838	0.040	28	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]HH)	110.0619	1.392	21	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	H(CN[6a]HH)	109.4770	0.044	25	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.7616	0.817	17	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4598	0.031	5	109.6415	0.537	104	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	H(CN[6a]HH)	109.4570	0.022	5	109.4570	0.000	5	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	H(CN[6a]HH)	109.1088	0.824	21	109.1088	0.679	21	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	H(CN[6a]HH)	109.2107	1.233	44	109.2205	1.455	46	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	H(CN[6a]HH)	109.4370	0.011	2	109.2205	1.455	46	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HH)	109.4705	0.065	36	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4674	0.046	29	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]HH)	109.8109	2.244	28	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[6a]HH)	109.4690	0.018	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]HH)	109.6295	1.436	6	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	H(CN[6a]HH)	109.4435	0.011	2	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	H(CN[6a]HH)	109.4667	1.937	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	H(CN[6a]HH)	109.4453	0.025	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	H(CN[6a]HH)	109.4776	0.033	32	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	H(CN[6a]HH)	109.4873	0.044	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	H(CN[6a]HH)	109.6912	0.776	19	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	H(CN[6a]HH)	109.4733	0.025	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	H(CN[6a]HH)	111.5253	5.735	3	109.5934	1.450	170	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	H(CN[6a]HH)	109.4890	0.026	3	109.4701	0.013	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	H(CN[6a]HH)	109.4642	0.178	6	109.4701	0.013	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	H(CN[6a]HH)	109.4785	0.028	2	109.4701	0.013	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	H(CN[6a]HH)	109.4577	0.024	3	109.4701	0.013	14	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	H(CN[6a]HH)	109.4447	0.054	3	109.4447	0.003	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	H(CN[6a]HH)	108.3953	1.378	6	108.3953	1.898	6	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	H(CN[6a]HH)	109.4470	0.031	3	109.4470	0.001	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	H(CN[6a]HH)	109.4457	0.018	3	109.4457	0.000	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	H(CN[6a]HH)	109.9837	0.825	3	109.9837	0.680	3	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	H(CN[6a]HH)	110.2473	2.334	6	109.7068	2.985	27	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	H(CN[6a]HH)	109.4898	0.042	10	109.7068	2.985	27	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]2)(H)3	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	H(CN[6a]HH)	109.6093	2.192	11	109.7068	2.985	27	109.5050	1.060	1457	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:1:1:1:	3:3:4:	4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	H(CN[6a]HH)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CN[6a]HH)	109.4805	0.006	2	109.4805	0.000	2	109.4805	0.000	2	109.4807	0.920	2769	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:2:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	H(CN[6a]HO)	109.0950	0.004	2	109.0950	0.000	2	109.1294	0.007	5	109.1294	0.007	5	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:2:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HO)	109.0960	0.058	2	109.1523	0.011	3	109.1294	0.007	5	109.1294	0.007	5	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:2:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	H(CN[6a]HO)	109.2650	0.000	1	109.1523	0.011	3	109.1294	0.007	5	109.1294	0.007	5	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(CN[6a]CH)	109.0640	1.454	4	109.0640	2.115	4	108.9100	1.326	6	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	108.6020	0.027	2	108.6020	0.001	2	108.9100	1.326	6	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.2045	0.076	2	109.2045	0.006	2	109.1610	0.079	13	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(CN[6a]CH)	108.7480	0.014	2	109.0406	0.038	9	109.1610	0.079	13	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	109.1748	0.125	4	109.0406	0.038	9	109.1610	0.079	13	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	109.0567	0.080	3	109.0406	0.038	9	109.1610	0.079	13	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	H(CN[6a]CH)	109.6595	0.036	2	109.6595	0.001	2	109.1610	0.079	13	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.1035	0.036	2	109.1035	0.001	2	109.1243	0.002	3	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	109.1660	0.000	1	109.1660	0.000	1	109.1243	0.002	3	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	H(CN[6a]HO)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	H(CN[6a]HO)	109.2830	0.011	2	109.2830	0.000	2	109.2830	0.000	2	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CN[6a]HO)	109.2410	0.014	2	109.2410	0.000	2	109.3706	0.200	10	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	H(CN[6a]HO)	109.1382	0.025	4	109.1382	0.001	4	109.3706	0.200	10	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	H(CN[6a]HO)	110.2140	0.008	2	110.2140	0.000	2	109.3706	0.200	10	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	H(CN[6a]HO)	109.1215	0.021	2	109.1215	0.000	2	109.3706	0.200	10	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	H(CN[6a]HO)	108.8440	0.004	2	108.8440	0.000	2	108.9782	1.556	18	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]HO)	108.4871	1.529	9	108.4871	2.337	9	108.9782	1.556	18	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]HO)	110.5770	0.000	1	110.5770	0.000	1	108.9782	1.556	18	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(OC[5,6])(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OC[5,6])(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	H(CN[6a]HO)	110.1720	0.028	2	110.1720	0.001	2	108.9782	1.556	18	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(OSi)(H)2	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	H(CN[6a]HO)	C(N[6a]C[6a]2)(OSi)(H)2	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CN[6a]HO)	109.1538	0.093	4	109.1538	0.009	4	108.9782	1.556	18	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:2:1:1:	3:3:4:	4:	N[6a]-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	H(CN[6a]HS)	C(N[6a]C[6a]2)(SC)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	H(CN[6a]HS)	108.8947	0.146	6	108.8947	0.021	6	108.8947	0.021	6	109.0892	0.658	58	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	H(CC[5a]N[6a]H)	109.0240	0.038	2	109.0240	0.001	2	109.0240	0.001	2	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	H(CN[6a]CH)	109.3760	0.014	2	109.3760	0.000	2	109.0126	0.088	13	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.1530	0.014	2	108.9465	0.074	11	109.0126	0.088	13	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	108.9500	0.306	7	108.9465	0.074	11	109.0126	0.088	13	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	108.7280	0.034	2	108.9465	0.074	11	109.0126	0.088	13	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	109.1580	0.141	6	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6a]H)	109.2040	0.000	1	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.2990	0.004	2	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	H(CC[6a]N[6a]H)	109.0670	0.006	2	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6a]H)	109.5525	0.004	2	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	H(CC[6a]N[6a]H)	106.4080	2.157	2	108.8537	1.347	15	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	H(CC[6a]N[6a]H)	109.0990	0.228	5	109.0990	0.052	5	108.9150	1.015	20	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:2:4:	4:	N[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	H(CN[6a]N[6]H)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]N[6]H)	108.0820	0.051	2	108.0820	0.003	2	108.0820	0.003	2	108.9102	0.608	37	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	H(CC[5a]N[6a]H)	109.5440	0.034	2	109.5440	0.001	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	H(CC[5a]N[6a]H)	108.9470	0.080	4	108.9470	0.006	4	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	H(CC[5a]N[6a]H)	108.9875	0.011	2	108.9875	0.000	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	H(CC[5a]N[6a]H)	109.2860	0.011	2	109.2860	0.000	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	H(CC[5a]N[6a]H)	109.1155	0.033	2	109.1155	0.001	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	H(CC[5a]N[6a]H)	109.3120	0.109	2	109.3120	0.012	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[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]N[6a]H)	109.4595	0.022	2	109.4595	0.000	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]N[6a]H)	109.8565	0.011	2	109.8565	0.000	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]N[6a]H)	109.0300	0.028	2	109.0300	0.001	2	109.2485	0.088	20	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	H(CN[6a]C[6]H)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	H(CN[6a]C[6]H)	109.3520	0.194	8	109.3520	0.038	8	109.3520	0.038	8	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6a]H)	109.1585	0.009	2	109.1585	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6a]H)	109.2080	0.000	1	109.2080	0.000	1	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	H(CC[6a]N[6a]H)	109.1322	0.248	4	109.1322	0.061	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	109.3895	0.009	2	109.3895	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	108.7540	0.069	2	108.7540	0.005	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6a]H)	109.0225	0.023	2	109.0225	0.001	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	108.4587	0.172	3	108.4587	0.030	3	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	H(CC[6a]N[6a]H)	108.7420	0.011	2	108.7420	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	108.4460	0.006	2	108.4460	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6a]H)	109.0310	0.000	1	109.0310	0.000	1	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	H(CC[6a]N[6a]H)	105.6545	0.343	2	107.9020	3.095	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6a]H)	109.0258	0.262	4	107.9020	3.095	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	H(CC[6a]N[6a]H)	107.8468	2.135	13	107.8468	4.560	13	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	H(CC[6a]N[6a]H)	108.2685	0.028	2	108.2685	0.001	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[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]N[6a]H)	108.7582	0.473	12	108.7582	0.224	12	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[6a]H)	108.6435	0.035	2	108.7798	0.025	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.9160	0.007	2	108.7798	0.025	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	108.7470	0.000	1	108.7470	0.000	1	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	H(CC[6a]N[6a]H)	108.6155	0.008	2	109.0823	0.066	22	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.9693	0.117	6	109.0823	0.066	22	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	H(CC[6a]N[6a]H)	109.2230	0.025	2	109.0823	0.066	22	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6a]H)	109.2379	0.234	10	109.0823	0.066	22	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[6a]H)	108.9695	0.033	2	109.0823	0.066	22	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	109.1142	0.348	12	108.9700	0.123	26	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	H(CC[6a]N[6a]H)	108.9785	0.013	2	108.9700	0.123	26	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[6a]H)	108.7680	0.803	2	108.9700	0.123	26	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6a]H)	108.9180	0.411	4	108.9700	0.123	26	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.7807	0.068	6	108.9700	0.123	26	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	109.1628	0.123	4	109.1628	0.015	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	H(CC[6a]N[6a]H)	108.5790	0.054	2	108.6803	0.012	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	H(CC[6a]N[6a]H)	108.7310	0.097	4	108.6803	0.012	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	108.8825	0.009	2	107.4483	3.894	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6a]H)	106.0140	1.858	2	107.4483	3.894	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]N[6a]H)	109.0122	0.299	13	109.0122	0.089	13	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	H(CC[6a]N[6a]H)	108.5556	0.216	14	108.5556	0.047	14	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6a]H)	109.2371	0.640	8	109.0240	0.228	29	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6a]H)	108.9428	0.388	21	109.0240	0.228	29	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[6a]H)	109.0245	0.015	2	108.8030	0.037	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	H(CC[6a]N[6a]H)	108.6923	0.109	4	108.8030	0.037	6	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[6a]H)	109.4435	0.304	4	109.4435	0.092	4	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	H(CC[6a]N[6a]H)	108.5195	0.050	2	108.5195	0.003	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6a]H)	109.1930	0.010	2	109.1930	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[6a]H)	108.8085	0.005	2	108.8085	0.000	2	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[6a]H)	109.0365	0.032	2	109.1419	0.067	8	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	H(CC[6a]N[6a]H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6a]H)	109.1770	0.296	6	109.1419	0.067	8	108.8012	0.671	201	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	H(CN[5a]N[6a]H)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]N[6a]H)	108.5270	0.652	2	108.5270	0.425	2	108.5270	0.425	2	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	H(CN[6a]CH)	109.4040	0.123	3	109.4040	0.015	3	109.4040	0.015	3	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	108.8355	0.016	2	108.8355	0.000	2	109.1343	0.094	6	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	H(CN[6a]CH)	109.2950	0.447	2	109.2950	0.200	2	109.1343	0.094	6	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	H(CN[6a]CH)	109.2725	0.025	2	109.2725	0.001	2	109.1343	0.094	6	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(CN[6a]CH)	108.7115	0.062	2	108.7115	0.004	2	108.7115	0.004	2	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]CH)	109.1887	0.162	4	109.1887	0.026	4	109.5179	2.421	10	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	109.7373	2.049	6	109.7373	4.198	6	109.5179	2.421	10	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	108.5775	0.006	2	108.3644	0.860	8	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CN[6a]CH)	106.9740	0.816	2	108.3644	0.860	8	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	108.9530	0.063	4	108.3644	0.860	8	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.2915	0.011	2	109.2915	0.000	2	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	108.4890	0.020	2	108.4890	0.000	2	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	109.0285	0.299	2	109.2935	1.997	4	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	109.5585	2.371	2	109.2935	1.997	4	108.7281	1.007	16	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	H(CN[6a]CH)	109.1267	0.010	3	109.1267	0.000	3	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	H(CN[6a]CH)	107.9255	0.849	2	107.9255	0.721	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.2691	0.188	7	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	H(CN[6a]CH)	109.1848	0.137	4	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CN[6a]CH)	109.3494	0.089	8	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	H(CN[6a]CH)	109.3673	0.118	6	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CN[6a]CH)	108.9103	0.022	4	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.1447	0.005	3	109.2405	0.034	32	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CN[6a]CH)	108.6240	0.045	2	108.6240	0.002	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.3140	0.315	4	109.3140	0.099	4	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	109.0462	0.231	12	109.0462	0.053	12	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6a]CH)	109.7435	0.025	2	109.7435	0.001	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CN[6a]CH)	109.5210	0.030	2	109.5210	0.001	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CN[6a]CH)	109.2775	0.013	2	109.2775	0.000	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.3065	0.057	4	109.3065	0.003	4	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]CH)	108.7345	0.018	2	108.7345	0.000	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	108.9835	0.816	6	109.2677	0.308	16	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CNO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CN[6a]CH)	109.4382	0.238	10	109.2677	0.308	16	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	H(CN[6a]CH)	109.6765	0.005	2	109.6765	0.000	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CN[6a]CH)	109.2610	0.068	4	109.2610	0.005	4	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]CH)	109.2750	0.024	2	109.2750	0.001	2	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	107.4945	1.415	8	107.4945	2.003	8	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]CH)	109.1015	0.031	6	109.0612	0.043	12	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	109.0208	0.301	6	109.0612	0.043	12	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.1625	0.249	12	109.0395	0.132	36	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CN[6a]CH)	109.0444	0.396	18	109.0395	0.132	36	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	108.7788	0.368	6	109.0395	0.132	36	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	108.8577	0.174	12	108.7361	0.121	14	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(COO)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|I<1>}	H(CN[6a]CH)	108.0070	0.030	2	108.7361	0.121	14	109.0274	0.355	161	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	H(CC[5a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[5a]N[6a]H)	108.2223	0.535	6	108.2223	0.286	6	108.2223	0.286	6	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	H(CN[6a]C[6]H)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	H(CN[6a]C[6]H)	109.2752	0.245	4	109.2752	0.060	4	109.2752	0.060	4	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]H)	108.4125	0.605	2	108.4125	0.366	2	108.4125	0.366	2	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	H(CC[6a]N[6a]H)	107.8360	1.640	2	107.8360	2.691	2	108.3713	0.526	8	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	H(CC[6a]N[6a]H)	108.5497	0.214	6	108.5497	0.046	6	108.3713	0.526	8	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[6a]H)	108.9400	0.062	2	108.9400	0.004	2	108.9400	0.004	2	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	H(CC[6a]N[6a]H)	108.9385	0.035	2	108.9385	0.001	2	109.0946	0.041	14	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6a]H)	109.0130	0.164	4	109.0130	0.027	4	109.0946	0.041	14	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	H(CC[6a]N[6a]H)	109.2773	0.115	6	109.2773	0.013	6	109.0946	0.041	14	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6a]H)	108.8655	0.015	2	108.8655	0.000	2	109.0946	0.041	14	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]N[6a]H)	108.6195	0.005	2	108.6195	0.000	2	108.5414	0.044	8	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6a]H)	108.5153	0.241	6	108.5153	0.058	6	108.5414	0.044	8	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6a]H)	108.4090	0.000	1	108.9490	0.220	3	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6a]H)	109.2190	0.054	2	108.9490	0.220	3	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]N[6a]H)	108.4650	0.030	2	108.4650	0.001	2	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	H(CC[6a]N[6a]H)	109.3215	0.009	2	109.4668	0.327	6	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]N[6a]H)	109.5395	0.724	4	109.4668	0.327	6	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[6a]H)	107.9055	1.654	8	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	H(CC[6a]N[6a]H)	108.6665	0.013	2	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[6a]N[6a]H)	109.0730	0.000	1	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[6a]H)	108.9061	0.256	12	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]N[6a]H)	108.8135	0.116	11	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[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]N[6a]H)	108.4340	0.000	1	108.6259	0.757	35	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[6a]H)	108.5978	0.046	4	108.5978	0.002	4	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6a]H)	108.6637	0.284	4	108.7533	0.068	6	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6a]H)	108.9325	0.019	2	108.7533	0.068	6	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	H(CC[6a]N[6a]H)	108.8495	0.094	2	108.8495	0.009	2	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[6a]H)	108.5287	0.058	3	108.5287	0.003	3	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	H(CC[6a]N[6a]H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	N[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]N[6a]H)	108.6445	0.009	2	108.6445	0.000	2	108.7297	0.521	63	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	H(CN[6a]N[5]H)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	H(CN[6a]N[5]H)	109.0780	0.017	2	109.0780	0.000	2	109.0780	0.000	2	108.8968	0.546	538	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	H(CC[6a]N[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	H(CC[6a]N[6a]C)	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.8426	0.064	5	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:3:1:	3:3:4:	4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)3(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	H(CN[6a]3)	C(N[6a]C[6a]2)3(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	H(CN[6a]3)	106.9342	0.171	4	106.9342	0.029	4	106.9342	0.029	4	106.8426	0.064	5	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:4:1:	3:3:4:	4:	C[5a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	H(CC[5a]N[6a]C)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	H(CC[5a]N[6a]C)	104.3410	0.000	1	104.3410	0.000	1	104.3410	0.000	1	105.7843	1.619	4	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[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)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	H(CC[6a]N[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6a]C)	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	105.7843	1.619	4	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:4:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]N[6a]C)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	H(CC[6a]N[6a]C)	105.1020	0.000	1	105.1020	0.000	1	105.1020	0.000	1	105.7843	1.619	4	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:3:4:1:	3:3:4:	4:	N[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	H(CC[6a]N[6a]P)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	H(CC[6a]N[6a]P)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	105.7843	1.619	4	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CN[6a]CH)	109.1645	0.268	4	109.3650	0.077	8	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	109.5655	0.015	4	109.3650	0.077	8	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CClHH)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CClHH)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	H(CN[6a]CH)	105.6399	3.196	6	105.6399	10.213	6	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	108.6900	0.040	2	108.6900	0.002	2	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.2970	0.055	2	109.2970	0.003	2	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	109.4463	0.234	8	109.4463	0.055	8	108.4732	4.622	26	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:2:4:	4:	N[6a]-3:Si-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(SiC3)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	H(CN[6a]SiH)	C(N[6a]C[6a]N[6a])(SiC3)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	H(CN[6a]SiH)	107.9205	0.040	2	107.9205	0.002	2	107.9205	0.002	2	108.4337	4.300	28	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	108.3830	0.214	2	108.3830	0.046	2	108.8631	2.449	15	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	H(CN[6a]CH)	109.2757	0.030	3	109.2757	0.001	3	108.8631	2.449	15	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.3345	0.049	2	109.3345	0.002	2	108.8631	2.449	15	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.1332	2.311	6	109.1332	5.339	6	108.8631	2.449	15	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	107.4430	1.284	2	107.4430	1.649	2	108.8631	2.449	15	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	H(CN[6a]CH)	109.0708	0.196	5	109.0708	0.039	5	108.0637	2.772	12	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]2)(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	H(CN[6a]CH)	107.3443	1.899	7	107.3443	3.607	7	108.0637	2.772	12	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	H(CN[6a]CH)	109.3307	0.039	4	109.3307	0.001	4	109.3307	0.001	4	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	H(CN[6a]CH)	109.5185	0.056	2	109.5185	0.003	2	109.5185	0.003	2	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	108.2475	2.266	2	108.2475	5.136	2	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	H(CN[6a]CH)	108.9775	0.390	4	108.9512	0.117	5	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	H(CN[6a]CH)	108.8460	0.000	1	108.9512	0.117	5	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	H(CN[6a]CH)	105.0705	0.644	2	105.0705	0.415	2	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	H(CN[6a]CH)	108.9170	0.054	2	108.9170	0.003	2	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	H(CN[6a]CH)	106.9915	6.165	2	106.9915	38.010	2	107.9392	5.793	13	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(CN[6a]CH)	108.2895	0.032	2	108.2895	0.001	2	108.2895	0.001	2	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(CN[6a]CH)	108.2800	0.034	2	108.2800	0.001	2	109.0754	0.178	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	109.3870	0.028	4	109.3870	0.001	4	109.0754	0.178	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	H(CN[6a]CH)	109.1545	0.056	2	109.0670	0.025	3	109.0754	0.178	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	H(CN[6a]CH)	108.8920	0.000	1	109.0670	0.025	3	109.0754	0.178	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[6a]CH)	109.2600	0.040	2	109.2600	0.002	2	109.0754	0.178	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C-4:	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(CN[6a]CH)	108.6726	0.577	11	108.6726	0.333	11	108.6726	0.333	11	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	H(CN[6a]CH)	108.4080	0.010	2	108.4080	0.000	2	108.4080	0.000	2	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(CN[6a]CH)	108.5500	0.479	3	108.9969	0.125	22	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	H(CN[6a]CH)	109.2540	0.054	4	108.9969	0.125	22	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	109.0177	0.303	15	108.9969	0.125	22	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	108.8185	0.046	2	108.8185	0.002	2	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]CH)	109.1400	0.007	2	109.1400	0.000	2	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	108.9731	0.230	27	108.9731	0.053	27	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CClHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CClHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	109.4750	0.000	1	109.4750	0.000	1	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	H(CN[6a]CH)	108.3262	0.251	5	108.3262	0.063	5	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]CH)	108.8255	0.009	2	108.8255	0.000	2	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	109.1226	0.283	5	109.1226	0.080	5	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(CN[6a]CH)	109.5457	0.162	4	109.5457	0.026	4	108.9811	0.124	70	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CN[6a]CH)	109.1500	0.057	2	109.1500	0.003	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	H(CN[6a]CH)	108.9287	0.045	3	108.9287	0.002	3	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	108.4683	0.100	3	108.4683	0.010	3	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	H(CN[6a]CH)	108.8330	0.000	1	108.8330	0.000	1	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.3005	0.006	2	109.3005	0.000	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(CN[6a]CH)	109.3245	0.054	2	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[6a]CH)	109.0420	0.000	1	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	106.8670	0.205	2	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CN[6a]CH)	106.9500	2.182	6	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	108.9663	0.053	4	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	105.7440	0.885	2	107.6752	3.159	17	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	H(CN[6a]CH)	109.2900	0.086	2	109.2900	0.007	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.0455	0.005	2	109.0455	0.000	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	H(CN[6a]CH)	109.2570	0.000	1	109.2570	0.000	1	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	H(CN[6a]CH)	109.3675	0.116	4	109.0938	1.079	76	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[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(CN[6a]CH)	109.2220	0.020	2	109.0938	1.079	76	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.0196	1.043	68	109.0938	1.079	76	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	110.9385	0.730	2	109.0938	1.079	76	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	109.3045	0.034	4	108.9817	0.404	21	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	108.4790	1.065	6	108.9817	0.404	21	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CN[6a]CH)	109.2465	0.084	4	108.9817	0.404	21	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.0578	0.161	5	108.9817	0.404	21	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	H(CN[6a]CH)	109.1245	0.037	2	108.9817	0.404	21	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	H(CN[6a]CH)	109.0758	0.632	37	109.0758	0.400	37	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	H(CN[6a]CH)	109.8765	0.063	2	109.8765	0.004	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	107.7430	2.154	2	107.7430	4.639	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6a]CH)	109.5840	0.008	2	109.3570	0.069	4	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]CH)	109.1300	0.018	2	109.3570	0.069	4	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	109.6635	0.033	2	109.6635	0.001	2	108.9371	1.115	177	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCCH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCCH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	108.5295	0.016	2	108.5295	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCFF)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCFF)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.5903	0.253	9	109.5903	0.064	9	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	109.0542	0.293	4	109.0542	0.086	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[6a]CH)	108.8470	0.282	4	108.8470	0.080	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	108.9475	0.013	2	108.9475	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	H(CN[6a]CH)	108.8105	0.009	2	108.8105	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]CH)	108.9061	1.035	18	108.9374	0.918	21	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	H(CN[6a]CH)	109.0780	0.000	1	108.9374	0.918	21	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	H(CN[6a]CH)	109.1490	0.027	2	108.9374	0.918	21	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	H(CN[6a]CH)	108.8200	0.040	2	108.8200	0.002	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	109.0070	0.000	1	109.0070	0.000	1	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	H(CN[6a]CH)	109.1306	0.349	8	109.1306	0.122	8	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	H(CN[6a]CH)	109.2975	0.036	2	109.2975	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CN[6a]CH)	109.2120	0.000	2	109.2120	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	H(CN[6a]CH)	108.9825	0.180	4	108.9825	0.032	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.1224	0.266	79	109.1224	0.070	79	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6a]CH)	109.1590	0.107	4	109.1663	0.007	6	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	H(CN[6a]CH)	109.1810	0.045	2	109.1663	0.007	6	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	108.9225	0.029	2	108.9225	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	108.5812	1.507	20	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CN[6a]CH)	109.2545	0.093	6	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	H(CN[6a]CH)	109.1288	0.119	14	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	109.0692	0.201	25	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.1061	0.142	10	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	107.7750	1.372	10	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	H(CN[6a]CH)	108.9040	0.017	2	108.8311	0.911	87	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	104.0680	0.868	2	104.0680	0.754	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	H(CN[6a]CH)	109.0120	0.038	2	109.0120	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	109.3070	0.144	6	109.2164	0.043	8	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	108.9445	0.046	2	109.2164	0.043	8	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	108.6902	1.654	17	108.6902	2.734	17	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CN[6a]CH)	108.7610	0.064	2	108.7610	0.004	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.3957	0.052	4	109.3957	0.003	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.4331	0.253	10	109.4331	0.064	10	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.0070	0.004	2	109.0070	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	108.8815	0.030	2	108.8815	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	H(CN[6a]CH)	108.9030	0.023	2	108.9030	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	H(CN[6a]CH)	109.1240	0.017	2	109.1240	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.1590	0.202	4	109.1590	0.041	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	H(CN[6a]CH)	108.8870	0.000	1	108.8870	0.000	1	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CN[6a]CH)	109.5360	0.040	2	109.5360	0.002	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	107.1135	1.562	2	107.1135	2.440	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CF3)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CF3)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CN[6a]CH)	109.3845	0.012	2	109.3845	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	109.0260	1.800	2	109.0260	3.241	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	H(CN[6a]CH)	108.9685	0.104	4	108.9685	0.011	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	109.2270	0.004	2	109.2270	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]H)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.7350	2.210	2	109.7350	4.886	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.4375	0.009	2	109.4375	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	H(CN[6a]CH)	109.2940	0.028	2	109.2940	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	106.8390	2.051	2	106.8390	4.205	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CH)	109.3031	0.088	15	109.2103	0.019	73	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	H(CN[6a]CH)	109.1862	0.138	58	109.2103	0.019	73	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	H(CN[6a]CH)	108.5990	0.072	2	108.5990	0.005	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	107.9419	2.046	10	107.9419	4.186	10	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CN[6a]CH)	109.4310	0.021	2	109.4310	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	H(CN[6a]CH)	108.7885	0.019	2	108.7885	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.0790	0.271	10	109.0790	0.073	10	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]CH)	109.6380	0.000	1	109.6380	0.000	1	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6a]CH)	109.0563	0.141	4	109.0563	0.020	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	109.1929	0.205	11	109.1929	0.042	11	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6a]CH)	109.0585	0.004	4	109.0585	0.000	4	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6a]CH)	104.0295	1.877	2	104.0295	3.525	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	H(CN[6a]CH)	108.6169	0.087	8	108.6169	0.008	8	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	109.2570	0.394	6	109.2570	0.155	6	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6a]CH)	109.1585	0.035	2	109.1585	0.001	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6a]CH)	109.1435	0.018	2	109.1435	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	H(CN[6a]CH)	109.0900	0.004	2	109.0900	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	H(CN[6a]CH)	109.2672	0.237	12	109.2672	0.056	12	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHS)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHS)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	H(CN[6a]CH)	108.5539	2.526	10	108.5539	6.379	10	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	H(CN[6a]CH)	109.1665	0.015	2	109.1665	0.000	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	H(CN[6a]CH)	109.2425	0.088	2	109.2425	0.008	2	108.9719	0.865	484	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	H(CN[6a]C[3]H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	H(CN[6a]C[3]H)	109.0120	0.124	4	109.0120	0.015	4	109.0120	0.015	4	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]C[5]H)	106.5200	0.129	2	106.5200	0.017	2	106.5200	0.017	2	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:1:1:	3:3:4:	4:	N[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	H(CN[6a]C[6]H)	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	H(CN[6a]C[6]H)	109.0650	0.004	2	109.0650	0.000	2	109.0650	0.000	2	108.9249	0.988	811	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:2:1:	3:3:4:	4:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	H(CN[6a]CC)	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	108.5310	1.291	3	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:2:1:	3:3:4:	4:	N[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	H(CN[6a]CO)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	H(CN[6a]CO)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	108.5310	1.291	3	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:2:1:	3:3:4:	4:	N[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	H(CN[6a]CS)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	H(CN[6a]CS)	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	108.5310	1.291	3	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:3:1:	3:3:4:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	H(CN[6a]CC)	106.8790	0.105	2	106.8790	0.011	2	106.9496	0.199	7	106.9496	0.199	7	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:3:1:	3:3:4:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	H(CN[6a]CC)	107.1040	0.081	2	107.1040	0.006	2	106.9496	0.199	7	106.9496	0.199	7	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:3:1:	3:3:4:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	H(CN[6a]CC)	107.3780	0.000	1	107.3780	0.000	1	106.9496	0.199	7	106.9496	0.199	7	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:3:1:	3:3:4:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	H(CN[6a]CC)	106.0370	0.000	1	106.0370	0.000	1	106.9496	0.199	7	106.9496	0.199	7	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:3:1:	3:3:4:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	H(CN[6a]CC)	107.2660	0.000	1	107.2660	0.000	1	106.9496	0.199	7	106.9496	0.199	7	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:2:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	H(CN[6a]CC)	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	H(CN[6a]CC)	107.2665	0.794	2	107.2665	0.631	2	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]CC)	107.5420	0.161	2	107.5420	0.026	2	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	H(CN[6a]CC)	107.5890	0.011	2	107.5890	0.000	2	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	H(CN[6a]CC)	106.2700	0.120	3	106.2700	0.014	3	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	H(CN[6a]CC)	105.8975	0.747	10	105.8975	0.557	10	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	H(CN[6a]CC)	106.8010	0.000	1	106.8010	0.000	1	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	H(CN[6a]CC)	105.9623	0.321	4	105.5877	0.920	8	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	H(CN[6a]CC)	105.7650	0.000	1	105.5877	0.920	8	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	H(CN[6a]CC)	105.0293	1.518	3	105.5877	0.920	8	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	H(CN[6a]CC)	106.4150	0.065	2	106.4150	0.004	2	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6a]CC)	107.8707	0.272	3	107.8707	0.074	3	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	H(CN[6a]CC)	106.7958	0.125	6	106.7958	0.016	6	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	3:4:4:1:	3:3:4:	4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	H(CN[6a]CC)	106.3520	0.000	1	106.3520	0.000	1	106.4413	0.889	40	106.4413	0.889	40	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]C[5]H)	109.3655	0.039	2	109.2797	0.021	8	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	H(CN[6a]C[5]H)	109.3645	0.018	2	109.2797	0.021	8	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	H(CN[6a]C[5]H)	109.1945	0.170	4	109.2797	0.021	8	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	H(CN[6a]C[5]H)	108.1325	0.040	2	108.1325	0.002	2	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]C[5]H)	108.8150	0.038	2	108.8150	0.001	2	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	H(CN[6a]C[5]H)	109.0960	0.021	2	109.0960	0.000	2	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6a]C[5]H)	109.1350	0.027	2	109.1350	0.001	2	109.0372	0.159	16	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	951	0:SP3_SP-NON_SP2	C	N[6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	H(CN[6a]C[6]H)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	H(CN[6a]C[6]H)	109.1885	0.046	2	109.1885	0.002	2	109.1885	0.002	2	109.0540	0.143	18	109.2459	1.065	4343	109.2459	1.065	4343
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(CN[6a]HH)(CH)	112.5670	0.324	2	112.5670	0.105	2	112.6883	0.097	3	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(CPt)	C(N[6a]C[6a,6a]2)(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CPt)	112.9310	0.000	1	112.9310	0.000	1	112.6883	0.097	3	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(CC)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(CC)	111.7640	0.000	1	111.7640	0.000	1	112.2183	1.442	7	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(CN[6a]HH)(CH)	113.9960	0.000	1	112.7220	0.729	5	112.2183	1.442	7	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(CN[6a]HH)(CH)	112.1975	0.743	2	112.7220	0.729	5	112.2183	1.442	7	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(CH)	112.6095	0.408	2	112.7220	0.729	5	112.2183	1.442	7	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(CN[6a]HH)(CH)	110.1540	0.000	1	110.1540	0.000	1	112.2183	1.442	7	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CC[6a])	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(CC[6a])	112.5330	0.000	1	112.5330	0.000	1	112.3850	0.044	2	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:2:1:1:	3:3:4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a]2)(CC)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CH)	112.2370	0.000	1	112.2370	0.000	1	112.3850	0.044	2	112.3636	0.851	12	112.1706	1.264	13	112.1706	1.264	13
490	217	983	0:SP3_SP1_SP2	C	N[6a]	C	3:4:2:1:	3:3:4:	4:2:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(CH)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C(CN[6a]CH)(CH)	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	112.1706	1.264	13	112.1706	1.264	13
490	222	490	0:SP3_SP3_SPD5	C	As[5,5]	C	5:4:1:1:	3:3:2:2:4:	3:3:4:2:	As[5,5]-5:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	110.4755	21.629	8	110.4755	21.629	8
490	222	490	0:SP3_SP3_SPD5	C	As[5,5]	C	5:4:1:1:	3:3:2:2:4:	4:2:1:1:	As[5,5]-5:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C-4:O-2:H-1:H-1:	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(CAs[5,5]HH)(OH)(H)2	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(CAs[5,5]HH)(OH)(H)2	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	110.4755	21.629	8	110.4755	21.629	8
490	222	490	0:SP3_SP3_SPD5	C	As[5,5]	C	5:4:4:4:	3:3:2:2:4:	4:1:1:1:	As[5,5]-5:C-4:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3)	C(CAs[5,5]CC)(H)3	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CC3){2|H<1>,4|C<3>,4|C<4>}	C(CAs[5,5]CC)(H)3	108.3093	2.158	6	108.3093	4.655	6	108.3093	4.655	6	108.3093	4.655	6	110.4755	21.629	8	110.4755	21.629	8
490	222	930	0:SP3_SP2_SPD5	C	As[5,5]	C	5:3:1:1:	3:3:2:2:4:	3:4:1:	As[5,5]-5:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:O-1:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	C(C[6a]C[6a]2)(CAs[5,5]HH)(O)	112.7295	0.278	2	112.7295	0.077	2	112.7295	0.077	2	112.7295	0.077	2	112.7295	0.077	2	112.7295	0.077	2
490	222	951	0:SP3_SP-NON_SPD5	C	As[5,5]	H	5:3:1:1:	3:3:2:2:4:	4:	As[5,5]-5:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	H(CAs[5,5]CH)	109.0763	0.060	4	109.0763	0.004	4	109.0763	0.004	4	109.0763	0.004	4	108.5720	0.542	8	108.5720	0.542	8
490	222	951	0:SP3_SP-NON_SPD5	C	As[5,5]	H	5:4:1:1:	3:3:2:2:4:	4:	As[5,5]-5:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	H(CAs[5,5]CH)	107.4070	0.062	2	107.4070	0.004	2	108.0678	0.584	4	108.0678	0.584	4	108.5720	0.542	8	108.5720	0.542	8
490	222	951	0:SP3_SP-NON_SPD5	C	As[5,5]	H	5:4:1:1:	3:3:2:2:4:	4:	As[5,5]-5:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	As[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(CCHH){2|H<1>,4|C<3>,4|C<4>}	H(CAs[5,5]CH)	108.7285	0.028	2	108.7285	0.001	2	108.0678	0.584	4	108.0678	0.584	4	108.5720	0.542	8	108.5720	0.542	8
490	230	478	0:SP3_SP3_SPD6	C	S	C[4]	4:6:1:1:	4:1:1:1:1:1:	3:4:4:1:	C[4]-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	N[4]-3:C[4]-4:C-4:H-1:	C(C[4]C[4]N[4]H)(SF5)(H)2	S(CC[4]HH)(F)5	C[4](N[4]C[6a]C[4])(C[4]C[4]HO)(CHHS)(H)	C(C[4]C[4]N[4]H)(SF5)(H)2	S(CC[4]HH)(F)5	C[4](N[4]C[6a]C[4])(C[4]C[4]HO)(CHHS)(H){1|O<1>,2|C<3>}	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1
490	230	490	0:SP3_SP3_SPD6	C	S	C	4:6:1:1:	4:1:1:1:1:1:	3:4:1:1:	C-4:S-6:F-1:F-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C(CC[6a]FF)(SF5)(F)2	S(CCFF)(F)5	C(C[6a]C[6a]2)(CFFS)(F)2	C(CC[6a]FF)(SF5)(F)2	S(CCFF)(F)5	C(C[6a]C[6a]2)(CFFS)(F)2	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	117.3748	1.999	4	117.3748	1.999	4
490	230	490	0:SP3_SP3_SPD6	C	S	C	4:6:1:1:	4:1:1:1:1:1:	4:3:1:1:	C-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:C-3:H-1:H-1:	C(CCHH)(SF5)(H)2	S(CCHH)(F)5	C(CHHS)(COO)(H)2	C(CCHH)(SF5)(H)2	S(CCHH)(F)5	C(CHHS)(COO)(H)2	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	117.3748	1.999	4	117.3748	1.999	4
490	230	490	0:SP3_SP3_SPD6	C	S	C	4:6:1:1:	4:1:1:1:1:1:	4:4:1:1:	C-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:S-4:F-1:F-1:	C(CFFS)(SF5)(H)2	S(CCHH)(F)5	C(CHHS)(SO3)(F)2	C(CFFS)(SF5)(H)2	S(CCHH)(F)5	C(CHHS)(SO3)(F)2	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	117.3748	1.999	4	117.3748	1.999	4
490	230	490	0:SP3_SP3_SPD6	C	S	C	4:6:3:1:	4:1:1:1:1:1:	3:4:2:1:	C-4:S-6:C-3:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	C(C[6a]C[6a]2)(CCHS)(OH)(H)	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	117.3748	1.999	4	117.3748	1.999	4
490	230	830	0:SP3_SP-NON_SPD6	C	S	F	4:6:1:1:	4:1:1:1:1:1:	4:	C-4:S-6:F-1:F-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(CC[6a]FF)(SF5)(F)2	S(CCFF)(F)5	F(CCFS)	C(CC[6a]FF)(SF5)(F)2	S(CCFF)(F)5	F(CCFS)	106.8455	0.330	2	106.8455	0.109	2	106.8455	0.109	2	106.8455	0.109	2	106.3912	0.569	4	106.3912	0.569	4
490	230	830	0:SP3_SP-NON_SPD6	C	S	F	6:4:1:1:	4:1:1:1:1:1:	4:	S-6:S-4:F-1:F-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(SF5)(SO3)(F)2	S(CFFS)(F)5	F(CFSS)	C(SF5)(SO3)(F)2	S(CFFS)(F)5	F(CFSS)	105.9370	0.878	2	105.9370	0.771	2	105.9370	0.771	2	105.9370	0.771	2	106.3912	0.569	4	106.3912	0.569	4
490	230	930	0:SP3_SP2_SPD6	C	S	C	4:6:3:1:	4:1:1:1:1:1:	4:2:1:	C-4:S-6:C-3:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:O-2:O-1:	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	C(CCHS)(OC)(O)	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	C(CCHS)(OC)(O)	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1
490	230	951	0:SP3_SP-NON_SPD6	C	S	H	4:6:1:1:	4:1:1:1:1:1:	4:	C-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(CCHH)(SF5)(H)2	S(CCHH)(F)5	H(CCHS)	C(CCHH)(SF5)(H)2	S(CCHH)(F)5	H(CCHS)	108.1160	0.035	2	108.1160	0.001	2	107.8027	0.295	3	107.1998	0.925	5	106.9437	1.134	6	106.9437	1.134	6
490	230	951	0:SP3_SP-NON_SPD6	C	S	H	4:6:1:1:	4:1:1:1:1:1:	4:	C-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(CFFS)(SF5)(H)2	S(CCHH)(F)5	H(CCHS)	C(CFFS)(SF5)(H)2	S(CCHH)(F)5	H(CCHS)	107.1760	0.000	1	107.1760	0.000	1	107.8027	0.295	3	107.1998	0.925	5	106.9437	1.134	6	106.9437	1.134	6
490	230	951	0:SP3_SP-NON_SPD6	C	S	H	4:6:1:1:	4:1:1:1:1:1:	4:	C[4]-4:S-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(C[4]C[4]N[4]H)(SF5)(H)2	S(CC[4]HH)(F)5	H(CC[4]HS)	C(C[4]C[4]N[4]H)(SF5)(H)2	S(CC[4]HH)(F)5	H(CC[4]HS)	106.2955	0.620	2	106.2955	0.385	2	106.2955	0.385	2	107.1998	0.925	5	106.9437	1.134	6	106.9437	1.134	6
490	230	951	0:SP3_SP-NON_SPD6	C	S	H	4:6:3:1:	4:1:1:1:1:1:	4:	C-4:S-6:C-3:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	H(CCCS)	C(CC[6a]HO)(SF5)(COO)(H)	S(CCCH)(F)5	H(CCCS)	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	106.9437	1.134	6	106.9437	1.134	6
490	230	952	0:SP3_SP3_SPD6	C	S	S	6:4:1:1:	4:1:1:1:1:1:	4:1:1:1:	S-6:S-4:F-1:F-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:O-1:O-1:O-1:	C(SF5)(SO3)(F)2	S(CFFS)(F)5	S(CFFS)(O)3	C(SF5)(SO3)(F)2	S(CFFS)(F)5	S(CFFS)(O)3	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1
490	234	490	0:SP3_SP3_SP3	C	N[3,4]	C	4:4:4:4:	5:4:4:4:	4:1:1:1:	N[3,4]-4:C-4:C-4:C-4:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	C(CN[3,4]CC)(H)3	109.2523	0.984	3	109.2523	0.968	3	109.2523	0.968	3	109.2523	0.968	3	109.3623	0.572	6	109.8600	2.118	10
490	234	490	0:SP3_SP3_SP3	C	N[3,4]	C	4:4:4:4:	5:5:4:4:	4:1:1:1:	N[3,4]-4:C-4:C-4:C-4:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	C(CN[3,4]CC)(H)3	109.4723	0.653	3	109.4723	0.426	3	109.4723	0.426	3	109.4723	0.426	3	109.3623	0.572	6	109.8600	2.118	10
490	234	490	0:SP3_SP3_SP3	C	N[3,5]	C	4:3:4:1:	4:4:4:4:	4:1:1:1:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C(CN[3,5]C[6a]H)(H)3	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.8580	0.193	2	110.6065	4.162	4	109.8600	2.118	10
490	234	490	0:SP3_SP3_SP3	C	N[3,5]	C	4:3:4:1:	4:4:4:4:	4:1:1:1:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C(CN[3,5]C[6a]H)(H)3	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	108.8580	0.193	2	110.6065	4.162	4	109.8600	2.118	10
490	234	490	0:SP3_SP3_SP3	C	N[3,5]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	N[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	C(CN[3,5]CH)(H)3	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C(CN[3,5]CH)(H)3	112.3550	0.253	2	112.3550	0.064	2	112.3550	0.064	2	112.3550	0.064	2	110.6065	4.162	4	109.8600	2.118	10
490	234	643	0:SP3_SP2_SP3	C	N[3,5]	C[6a]	4:3:4:1:	4:4:4:4:	3:3:4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH)	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[3,5]CH){1|C<3>,2|H<1>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	110.5510	1.843	2	110.5510	1.843	2	110.5510	1.843	2
490	234	643	0:SP3_SP2_SP3	C	N[3,5]	C[6a]	4:3:4:1:	4:4:4:4:	3:3:4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3,5]CH)	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CN[3,5]CH){1|C<3>,2|H<1>}	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.5510	1.843	2	110.5510	1.843	2	110.5510	1.843	2
490	234	951	0:SP3_SP-NON_SP3	C	N[3,5]	H	4:3:4:1:	4:4:4:4:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:B[5]-4:C-4:	C-4:	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]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)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(B[5]O[5]CC)(CC[6a]CH){2|H<1>}	H(CN[3,5]C[6a]C)	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	107.2495	0.024	2	106.9680	0.250	3	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3,5]	H	4:3:4:1:	4:4:4:4:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C-4:	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]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)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,3|H<1>}	H(CN[3,5]C[6a]C)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	107.2495	0.024	2	106.9680	0.250	3	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3,5]	H	4:4:4:1:	4:4:4:4:	4:	N[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C-4:	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH)	H(CN[3,5]CC)	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	N[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(CN[3,5]CC)	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.9680	0.250	3	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3,6]	H	4:1:1:1:	4:4:2:4:	4:	N[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C-4:	C(N[3,6]C[3,6]C[6]O[3])(H)3	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	H(CN[3,6]HH)	C(N[3,6]C[3,6]C[6]O[3])(H)3	N[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|H<1>,3|C<3>}	H(CN[3,6]HH)	109.4997	0.042	3	109.4997	0.002	3	109.4997	0.002	3	109.4997	0.002	3	109.4997	0.002	3	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3]	H	4:1:1:1:	5:2:4:1:	4:	N[3]-4:H-1:H-1:H-1:	C[3]-5:H[3]-2:C-4:H-1:	C-4:	C(N[3]C[3]H[3]H)(H)3	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	H(CN[3]HH)	C(N[3]C[3]H[3]H)(H)3	N[3](C[3]H[3]H3)(H[3]C[3])(CH3)(H)	H(CN[3]HH)	109.4730	0.018	2	109.4730	0.000	2	109.4730	0.000	2	109.4730	0.000	2	109.7925	22.249	17	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3]	H	4:1:1:1:	5:2:4:4:	4:	N[3]-4:H-1:H-1:H-1:	Si[3]-5:O[3]-2:C-4:C-4:	C-4:	C(N[3]Si[3]O[3]C)(H)3	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	H(CN[3]HH)	C(N[3]Si[3]O[3]C)(H)3	N[3](Si[3]O[3]F3)(O[3]Si[3])(CH3)2	H(CN[3]HH)	108.8270	3.673	6	108.8270	13.489	6	108.8270	13.489	6	108.8270	13.489	6	109.7925	22.249	17	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3]	H	4:1:1:1:	6:6:4:3:	4:	N[3]-4:H-1:H-1:H-1:	C[3x3]-6:C[3x3]-6:C-4:C-3:	C-4:	C(N[3]C[3x3]2C)(H)3	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	H(CN[3]HH)	C(N[3]C[3x3]2C)(H)3	N[3](C[3x3]C[3x3]H[3]2HH)2(CH3)(CHO)	H(CN[3]HH)	112.5670	11.381	3	112.5670	129.520	3	112.5670	129.520	3	112.5670	129.520	3	109.7925	22.249	17	109.3859	17.130	23
490	234	951	0:SP3_SP-NON_SP3	C	N[3]	H	4:1:1:1:	7:2:4:4:	4:	N[3]-4:H-1:H-1:H-1:	Nb[3,3]-7:O[3]-2:C-4:C-4:	C-4:	C(N[3]Nb[3,3]O[3]C)(H)3	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2	H(CN[3]HH)	C(N[3]Nb[3,3]O[3]C)(H)3	N[3](Nb[3,3]N[3]O[3]2N3)(O[3]Nb[3,3])(CH3)2{2|C<4>}	H(CN[3]HH)	109.4772	0.037	6	109.4772	0.001	6	109.4772	0.001	6	109.4772	0.001	6	109.7925	22.249	17	109.3859	17.130	23
490	246	246	0:SP3_SP3_SP3	C	P[5]	P[5]	3:3:1:1:	4:4:4:	4:4:4:	P[5]-3:P[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:	C(P[5]C[5]2)2(H)2	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	C(P[5]C[5]2)2(H)2	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:1:1:	4:3:4:	4:1:1:1:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])(P[5]P[5]C)(CCHH)	C(CP[5]HH)(H)3	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])(P[5]P[5]C)(CCHH){2|H<1>,6|C<3>}	C(CP[5]HH)(H)3	110.2635	1.597	2	110.2635	2.552	2	110.2635	2.552	2	110.2635	2.552	2	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:1:1:	4:4:4:	4:1:1:1:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[5]CC)2(CCHH)	C(CP[5]HH)(H)3	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[5]CC)2(CCHH){4|H<1>}	C(CP[5]HH)(H)3	108.9310	0.000	1	108.9310	0.000	1	109.3653	0.305	3	109.3653	0.305	3	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:1:1:	4:4:4:	4:1:1:1:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])2(CCHH)	C(CP[5]HH)(H)3	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])2(CCHH){4|H<1>,8|C<3>}	C(CP[5]HH)(H)3	109.5825	0.572	2	109.5825	0.327	2	109.3653	0.305	3	109.3653	0.305	3	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:1:1:	4:4:4:	4:4:1:1:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:C-4:H-1:H-1:	C(P[5]P[5]2)(CCHH)(H)2	P[5](P[5]C[5]CC)2(CCHH)	C(CP[5]HH)(CH3)(H)2	C(P[5]P[5]2)(CCHH)(H)2	P[5](P[5]C[5]CC)2(CCHH){4|H<1>}	C(CP[5]HH)(CH3)(H)2	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:1:	3:3:4:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	C[5,6a]-3:As[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]As[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	C(CP[5]CH)(H)3	108.7602	1.608	4	108.7602	2.586	4	108.7602	2.586	4	109.8005	7.348	8	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:1:	3:3:4:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	C[5,6a]-3:P[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]P[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C(CP[5]CH)(H)3	108.7235	0.814	2	108.7235	0.662	2	108.7235	0.662	2	109.8005	7.348	8	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:1:	3:3:4:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	P[3,5]-3:C[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]P[3,5]C[5])(CH3)2(H)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH)	C(CP[5]CH)(H)3	C(P[5]P[3,5]C[5])(CH3)2(H)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH){6|C<3>}	C(CP[5]CH)(H)3	112.9580	4.053	2	112.9580	16.428	2	112.9580	16.428	2	109.8005	7.348	8	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	3:2:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	P[5]-3:N[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(P[5]N[5]P[5])(CH3)3	P[5](P[5]P[5]C)(N[5]C[5])(CC3)	C(CP[5]CC)(H)3	C(P[5]N[5]P[5])(CH3)3	P[5](P[5]P[5]C)(N[5]C[5])(CC3){3|C<4>}	C(CP[5]CC)(H)3	108.7297	4.828	3	108.7297	23.309	3	108.7297	23.309	3	108.7297	23.309	3	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	3:4:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(CC3){1|H<1>,1|P<3>,2|C<3>,2|O<2>}	C(CP[5]CC)(H)3	108.6627	4.961	3	108.6627	24.610	3	108.6627	24.610	3	108.8666	29.984	9	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	3:4:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C[5,6a]-3:P[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]P[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]P[5])(CH3)3	P[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2P[5])(CC3){1|C<4>,1|H<1>,6|C<3>}	C(CP[5]CC)(H)3	108.9685	6.172	6	108.9685	38.093	6	108.9685	38.093	6	108.8666	29.984	9	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	4:3:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	Ge[5,6]-4:C[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]Ge[5,6]C[5])(CH3)3	P[5](Ge[5,6]N[6]O[5]O[6])(C[5]C[5]H)(CC3)	C(CP[5]CC)(H)3	C(P[5]Ge[5,6]C[5])(CH3)3	P[5](Ge[5,6]N[6]O[5]O[6])(C[5]C[5]H)(CC3){1|P<4>,3|C<4>}	C(CP[5]CC)(H)3	109.3177	5.409	3	109.3177	29.253	3	109.3177	29.253	3	109.1092	32.380	6	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	4:3:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	P[5]-4:P[5]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2)(CH3)3	P[5](P[5]C[5]CC)(P[5]N[5]C)(CC3)	C(CP[5]CC)(H)3	C(P[5]P[5]2)(CH3)3	P[5](P[5]C[5]CC)(P[5]N[5]C)(CC3){1|C<4>}	C(CP[5]CC)(H)3	108.9007	7.181	3	108.9007	51.566	3	108.9007	51.566	3	109.1092	32.380	6	109.3925	19.357	35	109.3925	19.357	35
490	246	490	0:SP3_SP3_SP3	C	P[5]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2)(CH3)3	P[5](C[5]C[5]Si2)2(CC3)	C(CP[5]CC)(H)3	C(P[5]C[5]2)(CH3)3	P[5](C[5]C[5]Si2)2(CC3){4|H<1>}	C(CP[5]CC)(H)3	110.1800	8.510	3	110.1800	72.423	3	110.1800	72.423	3	110.1800	72.423	3	109.3925	19.357	35	109.3925	19.357	35
490	246	643	0:SP3_SP2_SP3	C	P[5]	C[6a]	3:4:3:1:	3:4:3:	3:4:2:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-3:C-4:C[5]-3:	C[6a]-3:C-4:N[6a]-2:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5])(CC[6a]C[5]H)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5])(CC[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(CC[5]P[5]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1
490	246	830	0:SP3_SP-NON_SP3	C	P[5]	F	3:1:1:1:	4:3:4:	4:	P[5]-3:F-1:F-1:F-1:	C[5,5]-4:P[5]-3:C-4:	C-4:	C(P[5]C[5,5]P[5])(F)3	P[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]C[5])(CF3)	F(CP[5]FF)	C(P[5]C[5,5]P[5])(F)3	P[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]C[5])(CF3){2|H<1>,6|C<4>}	F(CP[5]FF)	112.7503	3.310	3	112.7503	10.956	3	112.7503	10.956	3	112.7503	10.956	3	112.7503	10.956	3	112.7503	10.956	3
490	246	930	0:SP3_SP2_SP3	C	P[5]	C	3:3:1:1:	3:3:4:	4:2:4:	P[5]-3:C-3:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:N-2:C-4:	C(P[5]C[5]P[5])(CCN)(H)2	P[5](P[5]N[5]Cl)(C[5]C[5]H)(CCHH)	C(CP[5]HH)(NC[6a])(CC3)	C(P[5]C[5]P[5])(CCN)(H)2	P[5](P[5]N[5]Cl)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	C(CP[5]HH)(NC[6a])(CC3)	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1
490	246	945	0:SP3_SP3_SP3	C	P[5]	P	3:3:1:1:	3:3:4:	3:3:4:	P[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	P(C[6a]C[6a]2)2(CP[5]HH)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	P(C[6a]C[6a]2)2(CP[5]HH)	109.9640	1.459	2	109.9640	2.130	2	109.9640	2.130	2	109.9640	2.130	2	109.9640	2.130	2	109.9640	2.130	2
490	246	951	0:SP3_SP-NON_SP3	C	P[5,5]	H	3:1:1:1:	3:3:4:	4:	P[5,5]-3:H-1:H-1:H-1:	P[3x5]-3:P[3,5,5]-3:C-4:	C-4:	C(P[5,5]P[3,5,5]P[3x5])(H)3	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	H(CP[5,5]HH)	C(P[5,5]P[3,5,5]P[3x5])(H)3	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	H(CP[5,5]HH)	109.4818	0.040	5	109.4818	0.002	5	109.4818	0.002	5	109.4818	0.002	5	109.4818	0.002	5	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	3:3:4:	4:	P[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(P[5]C[5,6a]2)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CH3)	H(CP[5]HH)	C(P[5]C[5,6a]2)(H)3	P[5](C[5,6a]C[5,6a]C[6a])2(CH3){1|C<4>,5|C<3>}	H(CP[5]HH)	109.4787	0.029	4	109.4787	0.001	4	109.4787	0.001	4	109.4787	0.001	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	3:4:4:	4:	P[5]-3:H-1:H-1:H-1:	C[5]-3:Si[5]-4:C-4:	C-4:	C(P[5]Si[5]C[5])(H)3	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3)	H(CP[5]HH)	C(P[5]Si[5]C[5])(H)3	P[5](C[5]Si[4,5]C[3x6])(Si[5]N[5]CC)(CH3){1|Si<4>,2|N<3>,3|C<4>}	H(CP[5]HH)	109.4505	0.047	2	109.4505	0.002	2	109.4505	0.002	2	109.4505	0.002	2	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	4:3:4:	4:	P[5]-3:H-1:H-1:H-1:	P[5]-4:P[5]-3:C-4:	C-4:	C(P[5]P[5]2)(H)3	P[5](P[5]C[6a]2P[5])(P[5]P[5]C)(CH3)	H(CP[5]HH)	C(P[5]P[5]2)(H)3	P[5](P[5]C[6a]2P[5])(P[5]P[5]C)(CH3){3|C<4>,4|C<3>}	H(CP[5]HH)	109.4673	0.040	3	109.4673	0.002	3	109.4670	0.001	6	109.4670	0.001	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	4:3:4:	4:	P[5]-3:H-1:H-1:H-1:	P[5]-4:P[5]-3:C-4:	C-4:	C(P[5]P[5]2)(H)3	P[5](P[5]P[5]CC)(P[5]P[5]C)(CH3)	H(CP[5]HH)	C(P[5]P[5]2)(H)3	P[5](P[5]P[5]CC)(P[5]P[5]C)(CH3){1|C<4>,2|C<3>}	H(CP[5]HH)	109.4667	0.019	3	109.4667	0.000	3	109.4670	0.001	6	109.4670	0.001	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	4:4:4:	4:	P[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(P[5]C[5]2)(H)3	P[5](C[5]C[5]Si2)2(CH3)	H(CP[5]HH)	C(P[5]C[5]2)(H)3	P[5](C[5]C[5]Si2)2(CH3){4|H<1>}	H(CP[5]HH)	109.4685	0.006	2	109.4685	0.000	2	109.4685	0.000	2	109.4680	0.001	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:1:1:1:	4:4:4:	4:	P[5]-3:H-1:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:	C(P[5]P[5]2)(H)3	P[5](P[5]C[6a]2P[5])(P[5]P[5]CC)(CH3)	H(CP[5]HH)	C(P[5]P[5]2)(H)3	P[5](P[5]C[6a]2P[5])(P[5]P[5]CC)(CH3){2|C<4>,4|C<3>}	H(CP[5]HH)	109.4675	0.049	2	109.4675	0.002	2	109.4675	0.002	2	109.4680	0.001	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:3:1:1:	3:3:4:	4:	P[5]-3:C-3:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(P[5]C[5]P[5])(CCN)(H)2	P[5](P[5]N[5]Cl)(C[5]C[5]H)(CCHH)	H(CP[5]CH)	C(P[5]C[5]P[5])(CCN)(H)2	P[5](P[5]N[5]Cl)(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>}	H(CP[5]CH)	108.2695	0.006	2	108.2695	0.000	2	108.2695	0.000	2	109.2153	0.572	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:3:1:1:	3:3:4:	4:	P[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	H(CP[5]HP)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	H(CP[5]HP)	109.6882	0.241	4	109.6882	0.058	4	109.6882	0.058	4	109.2153	0.572	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:3:1:1:	4:4:4:	4:	P[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(P[5]C[5]2)(NCC)(H)2	P[5](C[5]C[5]CH)2(CHHN)	H(CP[5]HN)	C(P[5]C[5]2)(NCC)(H)2	P[5](C[5]C[5]CH)2(CHHN){4|H<1>}	H(CP[5]HN)	109.9350	0.007	2	109.9350	0.000	2	109.9350	0.000	2	108.6823	0.942	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:3:1:1:	4:4:4:	4:	P[5]-3:P[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(P[5]C[5]2)2(H)2	P[5](C[5]C[6a]C[5]H)2(CP[5]HH)	H(CP[5]2H)	C(P[5]C[5]2)2(H)2	P[5](C[5]C[6a]C[5]H)2(CP[5]HH){4|C<3>,4|H<1>}	H(CP[5]2H)	108.0560	0.037	4	108.0560	0.001	4	108.0560	0.001	4	108.6823	0.942	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	3:3:4:	4:	P[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	H(CP[5]HP)	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	H(CP[5]HP)	109.5900	0.025	4	109.5900	0.001	4	109.5900	0.001	4	109.6427	0.007	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	3:3:4:	4:	P[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(P[5]C[5]2)(PC[6a]2B)(H)2	P[5](C[5]C[5]C)2(CHHP)	H(CP[5]HP)	C(P[5]C[5]2)(PC[6a]2B)(H)2	P[5](C[5]C[5]C)2(CHHP){2|C<4>}	H(CP[5]HP)	109.7480	0.028	2	109.7480	0.001	2	109.7480	0.001	2	109.6427	0.007	6	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	4:3:4:	4:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-3:C-4:	C-4:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])(P[5]P[5]C)(CCHH)	H(CP[5]CH)	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])(P[5]P[5]C)(CCHH){2|H<1>,6|C<3>}	H(CP[5]CH)	109.6088	0.267	4	109.6088	0.071	4	109.6088	0.071	4	109.6088	0.071	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	4:4:4:	4:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:	C(P[5]P[5]2)(CCHH)(H)2	P[5](P[5]C[5]CC)2(CCHH)	H(CP[5]CH)	C(P[5]P[5]2)(CCHH)(H)2	P[5](P[5]C[5]CC)2(CCHH){4|H<1>}	H(CP[5]CH)	109.5290	0.028	2	109.5290	0.001	2	109.7963	0.055	8	109.7963	0.055	8	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	4:4:4:	4:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[5]CC)2(CCHH)	H(CP[5]CH)	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[5]CC)2(CCHH){4|H<1>}	H(CP[5]CH)	109.8710	0.030	2	109.8710	0.001	2	109.7963	0.055	8	109.7963	0.055	8	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:1:1:	4:4:4:	4:	P[5]-3:C-4:H-1:H-1:	P[5]-4:P[5]-4:C-4:	C-4:	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])2(CCHH)	H(CP[5]CH)	C(P[5]P[5]2)(CH3)(H)2	P[5](P[5]C[6a]2C[5])2(CCHH){4|H<1>,8|C<3>}	H(CP[5]CH)	109.8925	0.254	4	109.8925	0.065	4	109.7963	0.055	8	109.7963	0.055	8	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-3:C-4:C[5]-3:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(P[5]C[5]2)(H)	P[5](C[5]C[6a]C[5])(CC[6a]C[5]H)(C[5]C[5]C)	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)	P[5](C[5]C[6a]C[5])(CC[6a]C[5]H)(C[5]C[5]C){2|C<3>,2|C<4>}	H(CC[6a]C[5]P[5])	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:4:1:	3:3:4:	4:	P[5]-3:C-4:C-4:H-1:	C[5,6a]-3:As[5]-3:C-4:	C-4:	C(P[5]C[5,6a]As[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH)	H(CP[5]CC)	C(P[5]C[5,6a]As[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a]C[6a])(CCCH){1|H<1>,5|C<3>}	H(CP[5]CC)	109.2780	0.188	2	109.2780	0.035	2	109.2780	0.035	2	108.5155	2.759	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:4:1:	3:3:4:	4:	P[5]-3:C-4:C-4:H-1:	C[5,6a]-3:P[5]-3:C-4:	C-4:	C(P[5]C[5,6a]P[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH)	H(CP[5]CC)	C(P[5]C[5,6a]P[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[5])(CCCH){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(CP[5]CC)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	108.5155	2.759	4	109.2966	0.650	51	109.3131	0.594	56
490	246	951	0:SP3_SP-NON_SP3	C	P[5]	H	3:4:4:1:	3:3:4:	4:	P[5]-3:C-4:C-4:H-1:	P[3,5]-3:C[5]-3:C-4:	C-4:	C(P[5]P[3,5]C[5])(CH3)2(H)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH)	H(CP[5]CC)	C(P[5]P[3,5]C[5])(CH3)2(H)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH){6|C<3>}	H(CP[5]CC)	106.0330	0.000	1	106.0330	0.000	1	106.0330	0.000	1	108.5155	2.759	4	109.2966	0.650	51	109.3131	0.594	56
490	246	956	0:SP3_SP3_SP3	C	P[5]	N	3:3:1:1:	4:4:4:	4:4:4:	P[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-4:C-4:	C(P[5]C[5]2)(NCC)(H)2	P[5](C[5]C[5]CH)2(CHHN)	N(CP[5]HH)3	C(P[5]C[5]2)(NCC)(H)2	P[5](C[5]C[5]CH)2(CHHN){4|H<1>}	N(CP[5]HH)3	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1
490	246	992	0:SP3_SP3_SP3	C	P[5]	P	3:4:1:1:	3:3:4:	3:3:4:4:	P[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	P[5](C[5,6a]C[5,6a]C[6a])2(CHHP){2|H<1>,4|C<3>}	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	110.2050	0.000	2	110.2050	0.000	2	110.2050	0.000	2	109.9620	0.177	3	109.9620	0.177	3	109.9620	0.177	3
490	246	992	0:SP3_SP3_SP3	C	P[5]	P	3:4:1:1:	3:3:4:	3:3:4:4:	P[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(P[5]C[5]2)(PC[6a]2B)(H)2	P[5](C[5]C[5]C)2(CHHP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	C(P[5]C[5]2)(PC[6a]2B)(H)2	P[5](C[5]C[5]C)2(CHHP){2|C<4>}	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.9620	0.177	3	109.9620	0.177	3	109.9620	0.177	3
490	254	490	0:SP3_SP3_SP3	C	Ge[6]	C	4:4:4:4:	3:3:2:4:	4:1:1:1:	Ge[6]-4:C-4:C-4:C-4:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C-4:H-1:H-1:H-1:	C(Ge[6]C[6a]C[6]O[6])(CH3)3	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3)	C(CGe[6]CC)(H)3	C(Ge[6]C[6a]C[6]O[6])(CH3)3	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3){2|H<1>,3|C<3>,3|C<4>}	C(CGe[6]CC)(H)3	109.5583	1.008	3	109.5583	1.015	3	109.5583	1.015	3	109.5583	1.015	3	109.5583	1.015	3	109.5583	1.015	3
490	254	643	0:SP3_SP2_SP3	C	Ge[6]	C[6a]	4:3:3:3:	3:3:4:1:	4:3:3:	Ge[6]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:	C(Ge[6]C[5,6]2H)(C[6a]C[6a]2)3	Ge[6](C[5,6]N[5,6]N[5])2(CC[6a]3)(H)	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2	C(Ge[6]C[5,6]2H)(C[6a]C[6a]2)3	Ge[6](C[5,6]N[5,6]N[5])2(CC[6a]3)(H){1|B<4>,2|C<4>,4|C<3>}	C[6a](CC[6a]2Ge[6])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.5017	1.701	3	108.5017	2.894	3	108.5017	2.894	3	108.5017	2.894	3	108.5017	2.894	3	108.5017	2.894	3
490	254	951	0:SP3_SP-NON_SP3	C	Ge[6]	H	4:1:1:1:	2:2:4:4:	4:	Ge[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Ge[6]O[6]2C)(H)3	Ge[6](O[6]C[6])(O[6]P[6])(CH3)2	H(CGe[6]HH)	C(Ge[6]O[6]2C)(H)3	Ge[6](O[6]C[6])(O[6]P[6])(CH3)2{1|W<6>,4|C<4>}	H(CGe[6]HH)	109.4604	0.029	5	109.4604	0.001	5	109.4604	0.001	5	109.4604	0.001	5	109.4490	0.001	17	109.4490	0.001	17
490	254	951	0:SP3_SP-NON_SP3	C	Ge[6]	H	4:1:1:1:	3:3:4:1:	4:	Ge[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:S-1:	C-4:	C(Ge[6]N[6]2S)(H)3	Ge[6](N[6]C[6a]C[6])2(CH3)(S)	H(CGe[6]HH)	C(Ge[6]N[6]2S)(H)3	Ge[6](N[6]C[6a]C[6])2(CH3)(S){2|C<4>,5|C<3>}	H(CGe[6]HH)	109.4440	0.022	6	109.4440	0.000	6	109.4440	0.000	6	109.4440	0.000	6	109.4490	0.001	17	109.4490	0.001	17
490	254	951	0:SP3_SP-NON_SP3	C	Ge[6]	H	4:1:1:1:	6:6:4:4:	4:	Ge[6]-4:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[5x3,5x5,21x6]-6:C-4:C-4:	C-4:	C(Ge[6]C[5x3,5x5,21x6]2C)(H)3	Ge[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])2(CH3)2	H(CGe[6]HH)	C(Ge[6]C[5x3,5x5,21x6]2C)(H)3	Ge[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])2(CH3)2{10|B<6>,1|Ge<4>,8|H<1>}	H(CGe[6]HH)	109.4445	0.036	6	109.4445	0.001	6	109.4445	0.001	6	109.4445	0.001	6	109.4490	0.001	17	109.4490	0.001	17
490	270	490	0:SP3_SP3_SPD5	C	C	C	4:5:1:1:	4:1:1:1:1:	4:2:1:1:	C-4:C-5:H-1:H-1:	C-4:H-1:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CH4)(H)2	C(CCHH)(H)4	C(CCHH)(OC)(H)2	C(CHHO)(CH4)(H)2	C(CCHH)(H)4	C(CCHH)(OC)(H)2	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1
490	270	813	0:SP3_SP2_SPD5	C	C	N[5a]	3:5:1:1:	4:4:2:1:1:	3:3:4:	N[5a]-3:C-5:H-1:H-1:	C-4:C-4:O-2:H-1:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	3:5:1:1:	4:4:2:1:1:	4:	N[5a]-3:C-5:H-1:H-1:	C-4:C-4:O-2:H-1:O-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHOO)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(CN[5a]CH)	109.1210	0.023	2	109.1210	0.001	2	109.1210	0.001	2	109.1210	0.001	2	109.3707	0.059	17	109.3707	0.059	17
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	4:5:1:1:	4:1:1:1:1:	4:	C-4:C-5:H-1:H-1:	C-4:H-1:H-1:H-1:H-1:	C-4:	C(CHHO)(CH4)(H)2	C(CCHH)(H)4	H(CCCH)	C(CHHO)(CH4)(H)2	C(CCHH)(H)4	H(CCCH)	109.1435	0.036	2	109.1435	0.001	2	109.1435	0.001	2	109.1435	0.001	2	109.3707	0.059	17	109.3707	0.059	17
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	4:5:1:1:	4:4:1:1:1:	4:	N-4:C-5:H-1:H-1:	N-4:C-4:H-1:H-1:H-1:	C-4:	C(NNiCC)(CH3N)(H)2	C(NNiCC)(CHHN)(H)3	H(CCHN)	C(NNiCC)(CH3N)(H)2	C(NNiCC)(CHHN)(H)3	H(CCHN)	109.6265	0.013	2	109.6265	0.000	2	109.6265	0.000	2	109.6265	0.000	2	109.3707	0.059	17	109.3707	0.059	17
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	5:1:1:1:	3:4:4:2:1:	4:	C-5:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HOP)(H)3	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	H(CCHH)	C(CC[6a]HOP)(H)3	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)(H)	H(CCHH)	109.4443	0.029	3	109.4443	0.001	3	109.4443	0.001	3	109.4443	0.001	3	109.3707	0.059	17	109.3707	0.059	17
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	5:1:1:1:	4:4:4:1:1:	4:	C-5:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:H-1:	C-4:	C(CCHHP)(H)3	C(PCNS)(CH3)2(H)2	H(CCHH)	C(CCHHP)(H)3	C(PCNS)(CH3)2(H)2	H(CCHH)	109.4633	0.300	6	109.4633	0.090	6	109.4633	0.090	6	109.4633	0.090	6	109.3707	0.059	17	109.3707	0.059	17
490	270	951	0:SP3_SP-NON_SPD5	C	C	H	5:3:1:1:	4:4:2:1:1:	4:	C-5:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:O-1:	C-4:	C(CCHOO)(NCC)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(CCHN)	C(CCHOO)(NCC)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	H(CCHN)	109.2035	0.009	2	109.2035	0.000	2	109.2035	0.000	2	109.2035	0.000	2	109.3707	0.059	17	109.3707	0.059	17
490	270	956	0:SP3_SP3_SPD5	C	C	N	5:3:1:1:	4:4:2:1:1:	4:4:4:	C-5:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:O-1:	C-4:C-4:C-4:	C(CCHOO)(NCC)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	N(CC[6a]HH)2(CCHH)	C(CCHOO)(NCC)(H)2	C(CN[5a]HH)(CHHN)(OH)(H)(O)	N(CC[6a]HH)2(CCHH)	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1
490	278	490	0:SP3_SP2_SP3	C	Ge[6]	C	3:4:4:4:	3:3:4:	4:1:1:1:	Ge[6]-3:C-4:C-4:C-4:	N[6,6a]-3:N[6]-3:C-4:	C-4:H-1:H-1:H-1:	C(Ge[6]N[6,6a]N[6])(CH3)3	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3)	C(CGe[6]CC)(H)3	C(Ge[6]N[6,6a]N[6])(CH3)3	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3){1|H<1>,4|C<3>}	C(CGe[6]CC)(H)3	110.0567	9.537	3	110.0567	90.963	3	110.0567	90.963	3	110.0567	90.963	3	110.0567	90.963	3	110.0567	90.963	3
490	278	951	0:SP3_SP-NON_SP2	C	Ge[6]	H	3:4:1:1:	4:4:4:	4:	Ge[6]-3:P-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	Ge[6](P[6]C[6a]2C[6])2(CHHP)	H(CGe[6]HP)	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	Ge[6](P[6]C[6a]2C[6])2(CHHP){1|B<4>,4|H<1>,8|C<3>}	H(CGe[6]HP)	108.9695	0.134	2	108.9695	0.018	2	108.9695	0.018	2	108.9695	0.018	2	108.9695	0.018	2	108.9695	0.018	2
490	278	992	0:SP3_SP2_SP3	C	Ge[6]	P	3:4:1:1:	4:4:4:	3:3:4:4:	Ge[6]-3:P-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	Ge[6](P[6]C[6a]2C[6])2(CHHP)	P(C[6a]C[6a]2)2(CGe[6]HH)(BH3)	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	Ge[6](P[6]C[6a]2C[6])2(CHHP){1|B<4>,4|H<1>,8|C<3>}	P(C[6a]C[6a]2)2(CGe[6]HH)(BH3)	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1
490	282	951	0:SP3_SP-NON_SP2	C	As[6]	H	3:1:1:1:	3:3:4:	4:	As[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(As[6]C[6]2)(H)3	As[6](C[6]C[6]C)2(CH3)	H(CAs[6]HH)	C(As[6]C[6]2)(H)3	As[6](C[6]C[6]C)2(CH3){1|As<3>,2|C<3>}	H(CAs[6]HH)	109.4646	0.189	14	109.4696	0.017	31	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46
490	282	951	0:SP3_SP-NON_SP2	C	As[6]	H	3:1:1:1:	3:3:4:	4:	As[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(As[6]C[6]2)(H)3	As[6](C[6]C[6]C)2(CH3)	H(CAs[6]HH)	C(As[6]C[6]2)(H)3	As[6](C[6]C[6]C)2(CH3){1|As<4>,2|C<3>}	H(CAs[6]HH)	109.4736	0.049	17	109.4696	0.017	31	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46
490	282	951	0:SP3_SP-NON_SP2	C	As[6]	H	3:1:1:1:	3:3:4:	4:	As[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(As[6]C[6]2)(H)3	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CAs[6]HH)	C(As[6]C[6]2)(H)3	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	H(CAs[6]HH)	109.4705	0.031	15	109.4705	0.001	15	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46	109.4699	0.011	46
490	310	490	0:SP3_SP3_SP3	C	Ge	C	3:4:4:1:	3:3:3:4:	4:3:1:1:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C(CC[6a]GeH)(COO)(H)2	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C(CC[6a]GeH)(COO)(H)2	112.8200	1.086	2	112.8200	1.180	2	112.8200	1.180	2	112.8200	1.180	2	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	C[6a]-3:Ge-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	C(CC[6a]GeH)(H)3	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	C(CC[6a]GeH)(H)3	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	3:3:3:4:	4:1:1:1:	Ge-4:C-4:H-1:H-1:	C-3:C-3:C-3:C-4:	C-4:H-1:H-1:H-1:	C(GeC3)(CH3)(H)2	Ge(CC[6a]O)3(CCHH)	C(CGeHH)(H)3	C(GeC3)(CH3)(H)2	Ge(CC[6a]O)3(CCHH)	C(CGeHH)(H)3	115.3580	1.255	3	115.3580	1.576	3	115.3580	1.576	3	115.3580	1.576	3	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	3:3:3:4:	4:4:1:1:	Ge-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(GeC[6a]3)(CCHH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(CF3)(H)2	C(GeC[6a]3)(CCHH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(CF3)(H)2	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:Ge-4:H-1:H-1:	C-4:C-4:Cl-1:Cl-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(GeCl2C)(H)2	Ge(CCHH)2(Cl)2	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeCl2C)(H)2	Ge(CCHH)2(Cl)2	C(C[6a]C[6a]2)(CGeHH)(H)2	115.2115	3.178	2	115.2115	10.103	2	115.2115	10.103	2	115.2115	10.103	2	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	Ge-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:H-1:H-1:H-1:	C(GeCCO)(CH3)(H)2	Ge(CCHH)3(OHH)	C(CGeHH)(H)3	C(GeCCO)(CH3)(H)2	Ge(CCHH)3(OHH)	C(CGeHH)(H)3	112.4210	2.286	3	112.4210	5.224	3	112.4210	5.224	3	112.4210	5.224	3	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	C(CGeHH)(H)3	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	C(CGeHH)(H)3	114.7070	0.000	1	114.7070	0.000	1	116.2055	2.232	4	116.2055	2.232	4	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)(H)2	Ge(GePt3)(CCHH)3	C(CGeHH)(H)3	C(GeGeCC)(CH3)(H)2	Ge(GePt3)(CCHH)3	C(CGeHH)(H)3	116.7050	1.360	3	116.7050	1.851	3	116.2055	2.232	4	116.2055	2.232	4	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	C(CGeHH)(CHHN)(H)2	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	C(CGeHH)(CHHN)(H)2	115.9613	0.758	3	115.9613	0.574	3	115.9613	0.574	3	115.9613	0.574	3	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:1:1:	4:4:4:4:	4:4:4:1:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	C(CGeHH)(CH3)2(H)	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	C(CGeHH)(CH3)2(H)	118.2255	2.564	6	118.2255	6.572	6	118.2255	6.572	6	118.2255	6.572	6	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:2:1:	3:3:4:2:	4:4:4:4:	Ge-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:C-4:	C(GeC[6a]2O)(CC3)(CW)(H)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(CGeCH)(CH3)3	C(GeC[6a]2O)(CC3)(CW)(H)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C(CGeCH)(CH3)3	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C(GeC3)(CH3)2(H)	Ge(CCCH)2(CC)2	C(CGeCH)(H)3	C(GeC3)(CH3)2(H)	Ge(CCCH)2(CC)2	C(CGeCH)(H)3	110.7221	0.970	60	110.7221	0.941	60	110.7221	0.941	60	110.7221	0.941	60	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	C(CGeCH)(H)3	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	C(CGeCH)(H)3	112.8704	1.578	24	112.8704	2.489	24	112.8326	2.715	26	112.7031	2.969	28	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	C(CGeCH)(H)3	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	C(CGeCH)(H)3	112.3785	3.191	2	112.3785	10.184	2	112.8326	2.715	26	112.7031	2.969	28	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeSiCC)(CH3)2(H)	Ge(SiSi3)(CCCH)3	C(CGeCH)(H)3	C(GeSiCC)(CH3)2(H)	Ge(SiSi3)(CCCH)3	C(CGeCH)(H)3	111.0195	2.490	2	111.0195	6.199	2	111.0195	6.199	2	112.7031	2.969	28	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	3:3:3:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(GeC[6a]3)(CCHH)(CH3)2	Ge(C[6a]C[6a]2)3(CC3)	C(CGeCC)(H)3	C(GeC[6a]3)(CCHH)(CH3)2	Ge(C[6a]C[6a]2)3(CC3)	C(CGeCC)(H)3	108.8713	0.856	6	108.8713	0.733	6	108.8713	0.733	6	108.8713	0.733	6	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	3:3:3:4:	4:3:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(GeC[6a]3)(CCHH)(CH3)2	Ge(C[6a]C[6a]2)3(CC3)	C(CGeCC)(COO)(H)2	C(GeC[6a]3)(CCHH)(CH3)2	Ge(C[6a]C[6a]2)3(CC3)	C(CGeCC)(COO)(H)2	110.0957	2.803	3	110.0957	7.858	3	110.0957	7.858	3	110.0957	7.858	3	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C[6a]-3:C-3:C-4:F-1:	C-4:H-1:H-1:H-1:	C(GeC[6a]CF)(CH3)3	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(CGeCC)(H)3	C(GeC[6a]CF)(CH3)3	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C(CGeCC)(H)3	109.5227	2.647	3	109.5227	7.005	3	109.5227	7.005	3	109.5227	7.005	3	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:H-1:H-1:	C(GeCl3)(CCHH)(CH3)2	Ge(CC3)(Cl)3	C(CGeCC)(H)3	C(GeCl3)(CCHH)(CH3)2	Ge(CC3)(Cl)3	C(CGeCC)(H)3	107.6202	0.119	4	107.6202	0.014	4	107.6202	0.014	4	107.6202	0.014	4	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:1:1:1:	4:3:1:1:	Ge-4:C-4:C-4:C-4:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:H-1:H-1:	C(GeCl3)(CCHH)(CH3)2	Ge(CC3)(Cl)3	C(CGeCC)(COO)(H)2	C(GeCl3)(CCHH)(CH3)2	Ge(CC3)(Cl)3	C(CGeCC)(COO)(H)2	110.6740	0.307	2	110.6740	0.094	2	110.6740	0.094	2	110.6740	0.094	2	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:2:2:2:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:O-2:O-2:O-2:	C-4:H-1:H-1:H-1:	C(GeO3)(CH3)3	Ge(CC3)(OSi)3	C(CGeCC)(H)3	C(GeO3)(CH3)3	Ge(CC3)(OSi)3	C(CGeCC)(H)3	108.4592	1.433	6	108.4592	2.053	6	108.4592	2.053	6	108.4592	2.053	6	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P-4:Ge-4:C-4:C-4:	C-4:B-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(GeBHH)(CH3)2	Ge(CCCP)(BH3)(H)2	C(CGeCP)(H)3	C(PC[6a]3)(GeBHH)(CH3)2	Ge(CCCP)(BH3)(H)2	C(CGeCP)(H)3	105.5415	2.560	2	105.5415	6.556	2	105.5415	6.556	2	105.5415	6.556	2	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeC3)(CH3)3	Ge(CC[6]HH)(CC3)(CH3)2	C(CGeCC)(H)3	C(GeC3)(CH3)3	Ge(CC[6]HH)(CC3)(CH3)2	C(CGeCC)(H)3	109.2462	1.187	6	109.2462	1.408	6	109.2462	1.408	6	109.3442	1.632	9	111.4852	7.940	149	111.4852	7.940	149
490	310	490	0:SP3_SP3_SP3	C	Ge	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)3	Ge(GeC[6a]3)(CC3)(CH3)2	C(CGeCC)(H)3	C(GeGeCC)(CH3)3	Ge(GeC[6a]3)(CC3)(CH3)2	C(CGeCC)(H)3	109.5403	1.709	3	109.5403	2.919	3	109.5403	2.919	3	109.3442	1.632	9	111.4852	7.940	149	111.4852	7.940	149
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C-4:Br-1:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(GeBr3)	Ge(CC[6a]3)(Br)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C(C[6a]C[6a]2)3(GeBr3)	Ge(CC[6a]3)(Br)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	107.2910	0.042	2	111.0084	9.431	7	111.0084	9.431	7
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C-4:I-1:I-1:I-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)3(GeI3)	Ge(CC[6a]3)(I)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge)	C(C[6a]C[6a]2)3(GeI3)	Ge(CC[6a]3)(I)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2Ge){1|C<3>,1|C<4>,1|H<1>}	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.2910	0.042	2	111.0084	9.431	7	111.0084	9.431	7
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:4:4:1:	3:3:3:4:	3:3:4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGeCH)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CGeCH){1|C<3>,2|H<1>}	111.0270	0.000	1	111.0270	0.000	1	110.3150	1.014	2	110.3150	1.014	2	111.0084	9.431	7	111.0084	9.431	7
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:4:4:1:	3:3:3:4:	3:3:4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CGeCH)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CGeCH){1|C<3>,2|H<1>}	109.6030	0.000	1	109.6030	0.000	1	110.3150	1.014	2	110.3150	1.014	2	111.0084	9.431	7	111.0084	9.431	7
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:4:4:1:	4:2:1:1:	3:2:4:	C[6a]-3:Ge-4:P-4:H-1:	C-4:Ge-2:Cl-1:Cl-1:	C[6a]-3:N[6a]-2:C-4:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	114.2430	0.687	2	114.2430	0.472	2	114.2430	0.472	2	114.2430	0.472	2	111.0084	9.431	7	111.0084	9.431	7
490	310	643	0:SP3_SP2_SP3	C	Ge	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:Ge-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	C[6a](C[6a]C[6a]H)2(CGeCH)	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	C[6a](C[6a]C[6a]H)2(CGeCH){1|C<3>,1|F<1>,1|H<1>}	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	111.0084	9.431	7	111.0084	9.431	7
490	310	762	0:SP3_SP2_SP3	C	Ge	C[6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6]-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	C[6](C[6]C[6]H)2(CGeHH)	C(C[6]C[6]2)(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	C[6](C[6]C[6]H)2(CGeHH){1|N<3>,2|H<1>}	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	109.7420	0.533	2	109.7420	0.533	2	109.7420	0.533	2
490	310	762	0:SP3_SP2_SP3	C	Ge	C[6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6]-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	C(C[6]C[6]N[6])(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	109.7420	0.533	2	109.7420	0.533	2	109.7420	0.533	2
490	310	818	0:SP3_SP2_SP3	C	Ge	C[5]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5]-3:Ge-4:H-1:H-1:	C-4:Ge-4:Cl-1:Cl-1:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(GeCl2Ge)(H)2	Ge(CC[5]HH)(GeCl2W)(Cl)2	C[5](N[5]C[6a]C[5])2(CGeHH)	C(C[5]N[5]2)(GeCl2Ge)(H)2	Ge(CC[5]HH)(GeCl2W)(Cl)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	120.8055	0.599	2	120.8055	0.359	2	120.8055	0.359	2	118.6527	14.083	3	118.6527	14.083	3	118.6527	14.083	3
490	310	818	0:SP3_SP2_SP3	C	Ge	C[5]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5]-3:Ge-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(GeGeHH)(H)2	Ge(CC[5]HH)(GeHHW)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH)	C(C[5]N[5]2)(GeGeHH)(H)2	Ge(CC[5]HH)(GeHHW)(H)2	C[5](N[5]C[6a]C[5])2(CGeHH){2|H<1>,4|C<3>}	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	118.6527	14.083	3	118.6527	14.083	3	118.6527	14.083	3
490	310	880	0:SP3_SP3_SP3	C	Ge	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	Ge-4:Si-4:Si-4:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C(GeCHI)(SiC3)2(H)	Ge(CSi2H)2(H)(I)	Si(CGeSiH)(CH3)3	C(GeCHI)(SiC3)2(H)	Ge(CSi2H)2(H)(I)	Si(CGeSiH)(CH3)3	113.2275	4.044	4	113.2275	16.358	4	113.2275	16.358	4	113.2275	16.358	4	112.8159	20.620	11	112.8159	20.620	11
490	310	880	0:SP3_SP3_SP3	C	Ge	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	Ge-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:I-1:	C-4:C-4:C-4:C-4:	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	Si(CGeSiH)(CH3)3	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	Si(CGeSiH)(CH3)3	116.4207	2.083	4	116.4207	4.338	4	116.4207	4.338	4	116.4207	4.338	4	112.8159	20.620	11	112.8159	20.620	11
490	310	880	0:SP3_SP3_SP3	C	Ge	Si	4:4:4:4:	4:2:1:1:	4:4:4:4:	Ge-4:Si-4:Si-4:Si-4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(GeHHS)(SiC3)3	Ge(CSi3)(SFe)(H)2	Si(CGeSi2)(CH3)3	C(GeHHS)(SiC3)3	Ge(CSi3)(SFe)(H)2	Si(CGeSi2)(CH3)3	107.4607	1.646	3	107.4607	2.710	3	107.4607	2.710	3	107.4607	2.710	3	112.8159	20.620	11	112.8159	20.620	11
490	310	893	0:SP3_SP2_SP3	C	Ge	O	4:2:1:1:	4:2:2:2:	4:3:	Ge-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	C-4:C-3:	C(GeO3)(OC)(H)2	Ge(CHHO)(OC)3	O(CGeHH)(CNO)	C(GeO3)(OC)(H)2	Ge(CHHO)(OC)3	O(CGeHH)(CNO)	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1
490	310	930	0:SP3_SP2_SP3	C	Ge	C	4:3:1:1:	3:3:3:4:	4:3:1:	Ge-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:	C(GeC[6a]3)(CCH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(CFF)(H)	C(GeC[6a]3)(CCH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(CFF)(H)	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:Ge-4:Cl-1:Cl-1:	C-4:	C(C[5]N[5]2)(GeCl2Ge)(H)2	Ge(CC[5]HH)(GeCl2W)(Cl)2	H(CC[5]GeH)	C(C[5]N[5]2)(GeCl2Ge)(H)2	Ge(CC[5]HH)(GeCl2W)(Cl)2	H(CC[5]GeH)	107.1260	0.117	4	107.1260	0.014	4	107.1260	0.014	4	107.6390	0.640	6	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:Ge-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(GeGeHH)(H)2	Ge(CC[5]HH)(GeHHW)(H)2	H(CC[5]GeH)	C(C[5]N[5]2)(GeGeHH)(H)2	Ge(CC[5]HH)(GeHHW)(H)2	H(CC[5]GeH)	108.6650	0.020	2	108.6650	0.000	2	108.6650	0.000	2	107.6390	0.640	6	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:1:1:	4:4:4:1:	4:	N-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:I-1:	C-4:	C(NC[6a]C)(GeCCI)(H)2	Ge(CSi2H)2(CHHN)(I)	H(CGeHN)	C(NC[6a]C)(GeCCI)(H)2	Ge(CSi2H)2(CHHN)(I)	H(CGeHN)	108.1635	0.023	2	108.1635	0.001	2	108.1635	0.001	2	108.1635	0.001	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	H(CC[6]GeH)	C(C[6]C[6]2)(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	H(CC[6]GeH)	109.8365	0.064	2	109.8365	0.004	2	109.7362	0.015	4	109.7362	0.015	4	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	H(CC[6]GeH)	C(C[6]C[6]N[6])(GeC3)(H)2	Ge(CC[6]HH)(CC3)(CH3)2	H(CC[6]GeH)	109.6360	0.011	2	109.6360	0.000	2	109.7362	0.015	4	109.7362	0.015	4	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:4:1:	3:3:3:4:	4:	C[6a]-3:Ge-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	H(CC[6a]GeC)	106.0810	1.216	2	106.0810	1.479	2	106.0810	1.479	2	106.0810	1.479	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:Ge-4:P-4:H-1:	C-4:Ge-2:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	H(CC[6a]GeP)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	H(CC[6a]GeP)	102.5945	0.483	2	102.5945	0.233	2	102.5945	0.233	2	102.5945	0.233	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:Ge-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	Ge(CC[6a]CH)(CCHH)3	H(CC[6a]GeC)	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:3:3:4:	4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(GeC[6a]2C[5])(H)3	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	H(CGeHH)	C(GeC[6a]2C[5])(H)3	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	H(CGeHH)	109.4670	0.054	5	109.4670	0.003	5	109.4670	0.003	5	109.4700	0.001	11	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:3:3:4:	4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(GeC[6a]3)(H)3	Ge(C[6a]C[6a]2)3(CH3)	H(CGeHH)	C(GeC[6a]3)(H)3	Ge(C[6a]C[6a]2)3(CH3)	H(CGeHH)	109.4725	0.025	6	109.4725	0.001	6	109.4725	0.001	6	109.4700	0.001	11	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:3:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(GeC[5a]2C)(H)3	Ge(C[5a]C[5a]S[5a])2(CH3)2	H(CGeHH)	C(GeC[5a]2C)(H)3	Ge(C[5a]C[5a]S[5a])2(CH3)2	H(CGeHH)	109.4816	0.033	7	109.4816	0.001	7	109.4816	0.001	7	109.4816	0.001	7	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:1:1:	4:	Ge-4:H-1:H-1:H-1:	C[5]-3:C-4:I-1:I-1:	C-4:	C(GeC[5]II)(H)3	Ge(C[5]N[5]2)(CH3)(I)2	H(CGeHH)	C(GeC[5]II)(H)3	Ge(C[5]N[5]2)(CH3)(I)2	H(CGeHH)	109.4710	0.020	3	109.4710	0.000	3	109.4710	0.000	3	109.4710	0.000	3	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:2:2:	4:	Ge-4:H-1:H-1:H-1:	C[5]-3:C-4:O-2:O-2:	C-4:	C(GeC[5]OO)(H)3	Ge(C[5]N[5]2)(CH3)(OC)2	H(CGeHH)	C(GeC[5]OO)(H)3	Ge(C[5]N[5]2)(CH3)(OC)2	H(CGeHH)	109.4673	0.029	3	109.4673	0.001	3	109.4673	0.001	3	109.4673	0.001	3	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(GeC3)(H)3	Ge(CSeN)(CH3)3	H(CGeHH)	C(GeC3)(H)3	Ge(CSeN)(CH3)3	H(CGeHH)	109.4936	0.034	7	109.4936	0.001	7	109.4936	0.001	7	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:Ge-4:C-4:C-4:	C-4:	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	H(CGeHH)	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC3)(CH3)2	H(CGeHH)	109.4788	0.025	5	109.4788	0.001	5	109.4722	0.000	9	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5a]-3:Ge-4:C-4:C-4:	C-4:	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	H(CGeHH)	C(GeC[5a]GeC)(H)3	Ge(C[5a]C[5a]S[5a])(GeC[5a]CC)(CH3)2	H(CGeHH)	109.4640	0.017	4	109.4640	0.000	4	109.4722	0.000	9	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(GeC[6a]CC)(H)3	Ge(C[6a]C[6a]2)(CH3)3	H(CGeHH)	C(GeC[6a]CC)(H)3	Ge(C[6a]C[6a]2)(CH3)3	H(CGeHH)	109.4646	0.042	11	109.4646	0.002	11	109.4646	0.002	11	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[6a]-3:Ge-4:C-4:C-4:	C-4:	C(GeC[6a]GeC)(H)3	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	H(CGeHH)	C(GeC[6a]GeC)(H)3	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	H(CGeHH)	109.4327	0.029	3	109.4327	0.001	3	109.4327	0.001	3	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	3:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-3:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeGe2)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeGe2)(CH3)3	H(CGeHH)	109.5561	1.127	15	109.5561	1.269	15	109.5561	1.269	15	109.4990	0.406	45	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:2:2:	4:	Ge-4:H-1:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(GeC3)(H)3	Ge(CH3)2(CC)2	H(CGeHH)	C(GeC3)(H)3	Ge(CH3)2(CC)2	H(CGeHH)	109.4860	0.199	9	109.4860	0.039	9	109.4860	0.039	9	109.4860	0.039	9	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:1:	4:	Ge-4:H-1:H-1:H-1:	C[3,3,5,5x6]-4:C-4:C-4:Cl-1:	C-4:	C(GeC[3,3,5,5x6]ClC)(H)3	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	H(CGeHH)	C(GeC[3,3,5,5x6]ClC)(H)3	Ge(C[3,3,5,5x6]B[4x3,3x5,12x6]B[3x3,5,5,9x6]B[5x3,5,5,7x6])(CH3)2(Cl)	H(CGeHH)	109.4627	0.024	4	109.4627	0.001	4	109.4627	0.001	4	109.4627	0.001	4	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:3:	4:	Ge-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(GeC3)(H)3	Ge(CH3)3(CCC)	H(CGeHH)	C(GeC3)(H)3	Ge(CH3)3(CCC)	H(CGeHH)	109.4822	0.027	6	109.4822	0.001	6	109.4822	0.001	6	109.4822	0.001	6	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	H(CGeHH)	C(GeC3)(H)3	Ge(CC[6]HH)(CC3)(CH3)2	H(CGeHH)	109.4613	0.025	9	109.4613	0.001	9	109.4613	0.001	9	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2C)2(CH3)2	H(CGeHH)	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2C)2(CH3)2	H(CGeHH)	109.4968	0.044	6	109.4968	0.002	6	109.4801	0.002	14	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	H(CGeHH)	C(GeC[5]2C)(H)3	Ge(C[5]C[5,6a]2Si)(C[5]C[5,6a]2H)(CH3)2	H(CGeHH)	109.4535	0.033	4	109.4535	0.001	4	109.4801	0.002	14	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(GeC[5]2C)(H)3	Ge(C[5]C[5]2Fe)2(CH3)2	H(CGeHH)	C(GeC[5]2C)(H)3	Ge(C[5]C[5]2Fe)2(CH3)2	H(CGeHH)	109.4815	0.047	4	109.4815	0.002	4	109.4801	0.002	14	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeC[5a]CC)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeC[5a]CC)(CH3)3	H(CGeHH)	109.4735	0.040	6	109.4735	0.002	6	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeC[6a]2Pt)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeC[6a]2Pt)(CH3)3	H(CGeHH)	109.4600	0.027	7	109.4600	0.001	7	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CC3)(CH3)2	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CC3)(CH3)2	H(CGeHH)	109.4760	0.028	5	109.4760	0.001	5	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeC[6a]3)(CH3)3	H(CGeHH)	109.4935	0.040	8	109.4935	0.002	8	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeGe2Si)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeGe2Si)(CH3)3	H(CGeHH)	109.4754	0.067	53	109.4754	0.004	53	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(H)3	Ge(GeGe3)(CH3)3	H(CGeHH)	C(GeGeCC)(H)3	Ge(GeGe3)(CH3)3	H(CGeHH)	109.4777	0.039	13	109.4777	0.002	13	109.4760	0.003	92	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:Ge-4:C-4:C-4:	C-4:	C(GeGe2C)(H)3	Ge(GeC[6a]3)(GeGeCC)(CH3)2	H(CGeHH)	C(GeGe2C)(H)3	Ge(GeC[6a]3)(GeGeCC)(CH3)2	H(CGeHH)	109.4915	0.015	4	109.4915	0.000	4	109.4856	0.000	8	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Ge-4:Ge-4:C-4:C-4:	C-4:	C(GeGe2C)(H)3	Ge(GeGeCC)(GeSi3)(CH3)2	H(CGeHH)	C(GeGe2C)(H)3	Ge(GeGeCC)(GeSi3)(CH3)2	H(CGeHH)	109.4797	0.024	4	109.4797	0.001	4	109.4856	0.000	8	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(GeSiCC)(H)3	Ge(SiC[6a]CC)(CH3)3	H(CGeHH)	C(GeSiCC)(H)3	Ge(SiC[6a]CC)(CH3)3	H(CGeHH)	109.4988	0.057	18	109.4988	0.003	18	109.4988	0.003	18	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:1:1:1:	4:4:4:4:	4:	Ge-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(GeSi[6]CC)(H)3	Ge(Si[6]C[6]2Ge)(CH3)3	H(CGeHH)	C(GeSi[6]CC)(H)3	Ge(Si[6]C[6]2Ge)(CH3)3	H(CGeHH)	109.4827	0.029	7	109.4827	0.001	7	109.4827	0.001	7	109.4791	0.003	148	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:2:1:1:	3:3:3:4:	4:	Ge-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(GeC[6a]3)(CN)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	C(GeC[6a]3)(CN)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	108.0800	0.011	2	108.0800	0.000	2	108.0800	0.000	2	108.0800	0.000	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:2:1:1:	4:2:2:2:	4:	Ge-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	C-4:	C(GeO3)(OC)(H)2	Ge(CHHO)(OC)3	H(CGeHO)	C(GeO3)(OC)(H)2	Ge(CHHO)(OC)3	H(CGeHO)	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:3:1:1:	3:3:3:4:	4:	Ge-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(GeC[6a]3)(CCH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	C(GeC[6a]3)(CCH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	108.3575	0.013	2	108.3575	0.000	2	108.3575	0.000	2	108.3575	0.000	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	3:3:3:4:	4:	Ge-4:C-4:H-1:H-1:	C-3:C-3:C-3:C-4:	C-4:	C(GeC3)(CH3)(H)2	Ge(CC[6a]O)3(CCHH)	H(CGeCH)	C(GeC3)(CH3)(H)2	Ge(CC[6a]O)3(CCHH)	H(CGeCH)	108.4278	0.279	6	108.4278	0.078	6	108.4278	0.078	6	108.6011	0.158	8	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	3:3:3:4:	4:	Ge-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(GeC[6a]3)(CCHH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	C(GeC[6a]3)(CCHH)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	H(CGeCH)	109.1210	0.024	2	109.1210	0.001	2	109.1210	0.001	2	108.6011	0.158	8	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:1:1:	4:	C-4:Ge-4:H-1:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(CC[6a]HH)(GeCl2C)(H)2	Ge(CCHH)2(Cl)2	H(CGeCH)	C(CC[6a]HH)(GeCl2C)(H)2	Ge(CCHH)2(Cl)2	H(CGeCH)	108.4513	0.604	4	108.4513	0.365	4	108.4513	0.365	4	108.4513	0.365	4	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:4:3:	4:	Ge-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:	C(GeCCO)(CH3)(H)2	Ge(CCHH)3(OHH)	H(CGeCH)	C(GeCCO)(CH3)(H)2	Ge(CCHH)3(OHH)	H(CGeCH)	108.7743	0.180	3	108.7743	0.032	3	108.7743	0.032	3	108.7743	0.032	3	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:4:4:	4:	C-4:Ge-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	H(CGeCH)	C(CCHH)(GeC3)(H)2	Ge(CC[6a]CH)(CCHH)3	H(CGeCH)	108.3450	0.139	5	108.3450	0.019	5	108.3450	0.019	5	108.0770	0.213	23	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:4:4:	4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	H(CGeCH)	C(GeGeCC)(CCCH)(H)2	Ge(GeC[6a]3)(CCHH)3	H(CGeCH)	107.8278	0.553	10	107.8278	0.306	10	108.0025	0.244	18	108.0770	0.213	23	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:4:4:	4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	H(CGeCH)	C(GeGeCC)(CH3)(H)2	Ge(GeC[6]3)(CCHH)3	H(CGeCH)	108.5790	0.052	2	108.5790	0.003	2	108.0025	0.244	18	108.0770	0.213	23	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:1:1:	4:4:4:4:	4:	Ge-4:C-4:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(CH3)(H)2	Ge(GePt3)(CCHH)3	H(CGeCH)	C(GeGeCC)(CH3)(H)2	Ge(GePt3)(CCHH)3	H(CGeCH)	108.1015	0.272	6	108.1015	0.074	6	108.0025	0.244	18	108.0770	0.213	23	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:2:1:	3:3:4:2:	4:	Ge-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(GeC[6a]2O)(CC3)(CW)(H)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	H(CGeCC)	C(GeC[6a]2O)(CC3)(CW)(H)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	H(CGeCC)	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:1:1:	4:	Ge-4:Si-4:Si-4:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(GeCHI)(SiC3)2(H)	Ge(CSi2H)2(H)(I)	H(CGeSi2)	C(GeCHI)(SiC3)2(H)	Ge(CSi2H)2(H)(I)	H(CGeSi2)	104.7435	1.372	2	104.7435	1.884	2	104.7435	1.884	2	104.7435	1.884	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:2:2:	4:	Ge-4:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(GeC3)(CH3)2(H)	Ge(CCCH)2(CC)2	H(CGeCC)	C(GeC3)(CH3)2(H)	Ge(CCCH)2(CC)2	H(CGeCC)	107.9647	0.471	29	107.9647	0.222	29	107.9647	0.222	29	107.9647	0.222	29	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:4:1:	4:	Ge-4:Si-4:Si-4:H-1:	C-4:C-4:C-4:I-1:	C-4:	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	H(CGeSi2)	C(GeCCI)(SiC3)2(H)	Ge(CSi2H)2(CHHN)(I)	H(CGeSi2)	101.6465	1.817	2	101.6465	3.300	2	101.6465	3.300	2	101.6465	3.300	2	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:4:4:	4:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	H(CGeCC)	C(GeGeCC)(CH3)2(H)	Ge(GeC[6a]2Ge)(CCCH)3	H(CGeCC)	106.7475	0.467	12	106.7475	0.218	12	106.7648	0.204	13	106.7726	0.189	14	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:4:4:	4:	Ge-4:C-4:C-4:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	H(CGeCC)	C(GeGeCC)(CH3)2(H)	Ge(GeGe3)(CCCH)3	H(CGeCC)	106.9730	0.000	1	106.9730	0.000	1	106.7648	0.204	13	106.7726	0.189	14	108.9072	1.444	344	108.9072	1.444	344
490	310	951	0:SP3_SP-NON_SP3	C	Ge	H	4:4:4:1:	4:4:4:4:	4:	Ge-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(GeSiCC)(CH3)2(H)	Ge(SiSi3)(CCCH)3	H(CGeCC)	C(GeSiCC)(CH3)2(H)	Ge(SiSi3)(CCCH)3	H(CGeCC)	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.7726	0.189	14	108.9072	1.444	344	108.9072	1.444	344
490	310	956	0:SP3_SP2_SP3	C	Ge	N	3:4:1:1:	4:4:4:1:	3:4:4:	N-3:Ge-4:H-1:H-1:	C-4:C-4:C-4:I-1:	C[6a]-3:C-4:C-4:	C(NC[6a]C)(GeCCI)(H)2	Ge(CSi2H)2(CHHN)(I)	N(C[6a]C[6a]2)(CGeHH)(CH3)	C(NC[6a]C)(GeCCI)(H)2	Ge(CSi2H)2(CHHN)(I)	N(C[6a]C[6a]2)(CGeHH)(CH3)	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1
490	310	983	0:SP3_SP1_SP3	C	Ge	C	4:2:1:1:	3:3:3:4:	4:1:	Ge-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(GeC[6a]3)(CN)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(N)	C(GeC[6a]3)(CN)(H)2	Ge(C[6a]C[6a]2)3(CCHH)	C(CGeHH)(N)	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1
490	310	992	0:SP3_SP3_SP3	C	Ge	P	3:4:4:1:	4:2:1:1:	4:4:4:1:	C[6a]-3:Ge-4:P-4:H-1:	C-4:Ge-2:Cl-1:Cl-1:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	P(CC[6a]GeH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	Ge(CC[6a]HP)(GeGe)(Cl)2	P(CC[6a]GeH)(CCCH)2(S)	111.7545	0.435	2	111.7545	0.189	2	111.7545	0.189	2	111.7545	0.189	2	112.2400	0.802	3	112.2400	0.802	3
490	310	992	0:SP3_SP3_SP3	C	Ge	P	4:4:4:4:	4:4:1:1:	3:3:3:4:	P-4:Ge-4:C-4:C-4:	C-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(GeBHH)(CH3)2	Ge(CCCP)(BH3)(H)2	P(C[6a]C[6a]2)3(CGeCC)	C(PC[6a]3)(GeBHH)(CH3)2	Ge(CCCP)(BH3)(H)2	P(C[6a]C[6a]2)3(CGeCC)	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	112.2400	0.802	3	112.2400	0.802	3
490	358	490	0:SP3_SP3_SP3	C	As[4]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	As[4]-4:C-4:C-4:C-4:	In[4]-4:In[4]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(As[4]In[4]2C)(CH3)3	As[4](In[4]As[4]CC)2(CC3)2	C(CAs[4]CC)(H)3	C(As[4]In[4]2C)(CH3)3	As[4](In[4]As[4]CC)2(CC3)2{2|C<4>}	C(CAs[4]CC)(H)3	109.3878	2.823	6	109.3878	7.967	6	109.3878	7.967	6	109.3878	7.967	6	109.3878	7.967	6	109.3878	7.967	6
490	362	490	0:SP3_SP3_SPD6	C	C[3,3]	C	6:4:1:1:	5:8:2:4:1:1:	4:1:1:1:	C[3,3]-6:C-4:H-1:H-1:	C[3,3]-5:C[3,3]-8:H[3]-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2	C(CC[3,3]HH)(H)3	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C[3,3](C[3,3]C[3,3]H[3]HH)(C[3,3]C[3,3]3H4)(H[3]C[3,3])(CCHH)(H)2{1|C<4>,1|H<2>,4|H<1>}	C(CC[3,3]HH)(H)3	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[3]	C	6:4:3:1:	5:5:4:1:1:1:	4:1:1:1:	C[3]-6:C-4:C-3:H-1:	C[3]-5:C[3]-5:C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H3)(CH3)(COO)(H)	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	C[3](C[3]C[3]H3)2(CCCH)(H)3	C(CC[3]CH)(H)3	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,3x5,11x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,3x5,11x6]-6:C-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:C-4:	C-4:N[5]-3:H-1:H-1:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCHH)	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CCHH){1|B<6>,4|H<1>}	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(CCHH)	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(CCHH){1|Cl<2>,4|Cl<1>,1|B<6>}	C(CC[5x3,5x5,20x6]HH)(H)3	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	117.1555	11.525	2	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(H)3	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	117.1555	11.525	2	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:2:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:S-2:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CCHH)	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	115.4860	0.972	4	115.4860	0.944	4	115.4860	0.944	4	115.1726	0.758	7	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:N[5]-3:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	114.7547	0.631	3	114.7547	0.399	3	114.7547	0.399	3	115.1726	0.758	7	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CCHH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	117.2150	0.000	1	117.2150	0.000	1	117.5737	3.416	3	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(CCHH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Cl)5(CCHH){5|Cl<1>,1|B<6>}	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	119.5750	0.000	1	119.5750	0.000	1	117.5737	3.416	3	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CCHH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CCHH){1|C<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	115.9310	0.000	1	115.9310	0.000	1	117.5737	3.416	3	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	117.6360	0.817	2	117.6360	0.668	2	116.8730	2.081	3	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	115.3470	0.000	1	115.3470	0.000	1	116.8730	2.081	3	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:N-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:4:1:1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CCHH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CCHH){1|B<6>,1|N<2>,3|C<3>,5|H<1>}	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	118.0190	0.000	1	118.0190	0.000	1	118.0190	0.000	1	116.8833	3.400	8	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:2:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO)	C(CC[5x3,5x5,20x6]HO)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO){1|B<6>,2|C<3>,5|H<1>}	C(CC[5x3,5x5,20x6]HO)(H)3	114.4120	0.000	1	114.4120	0.000	1	113.8990	0.526	2	113.8990	0.526	2	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:2:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO)	C(CC[5x3,5x5,20x6]HO)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCHO){1|B<6>,1|I<1>,4|H<1>}	C(CC[5x3,5x5,20x6]HO)(H)3	113.3860	0.000	1	113.3860	0.000	1	113.8990	0.526	2	113.8990	0.526	2	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH)	C(CC[5x3,5x5,20x6]CH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH){1|B<6>,2|O<2>,3|H<1>}	C(CC[5x3,5x5,20x6]CH)(H)3	113.3040	0.443	2	113.3040	0.196	2	113.3040	0.196	2	113.3040	0.196	2	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[5]CC)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[5]CC){1|B<6>,1|C<4>,4|H<1>}	C(CC[5x3,5x5,20x6]C[5]C)(H)3	110.3047	0.167	4	110.3047	0.028	4	110.3047	0.028	4	110.4681	1.044	18	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ru)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C[5]C)(H)3	111.4050	0.990	6	111.4050	0.980	6	110.5507	1.542	12	110.4681	1.044	18	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[5]CC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C[5]C)(H)3	109.6965	0.813	6	109.6965	0.662	6	110.5507	1.542	12	110.4681	1.044	18	113.3286	9.292	40	113.4693	9.631	43
490	362	490	0:SP3_SP3_SPD6	C	C[5x3,5x5,20x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ti)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[5]CC)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ti)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[5]CC){1|B<6>,5|H<1>}	C(CC[5x3,5x5,20x6]C[5]C)(H)3	110.2990	0.670	2	110.2990	0.449	2	110.2990	0.449	2	110.4681	1.044	18	113.3286	9.292	40	113.4693	9.631	43
490	362	542	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[5]-3:N[5]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CN[5]HH)	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CN[5]HH){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5]){1|C<3>,1|C<4>}	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	111.4965	0.653	2	111.4965	0.653	2
490	362	542	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	N[5]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:N[5]-3:C[5]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]HH)	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Ir)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CN[5]HH){1|B<6>,5|H<1>}	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	111.4965	0.653	2	111.4965	0.653	2
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	3:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|B<6>,1|C<4>,2|H<1>,2|I<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH){2|H<1>,5|C<3>}	117.9845	1.292	2	117.5906	0.832	5	117.5906	0.832	5	117.5906	0.832	5	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	3:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|B<6>,1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH){2|H<1>,5|C<3>}	117.3510	1.066	2	117.5906	0.832	5	117.5906	0.832	5	117.5906	0.832	5	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	3:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a,6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|B<6>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5x3,5x5,20x6]HH){2|H<1>,5|C<3>}	117.2820	0.000	1	117.5906	0.832	5	117.5906	0.832	5	117.5906	0.832	5	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HH){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:Cl-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]ClH)	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(Cl)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]ClH){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]ClH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|B<6>,1|C<3>,4|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	117.9605	0.596	2	116.3850	3.712	4	116.3850	3.712	4	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|B<6>,1|C<4>,4|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.8095	0.923	2	116.3850	3.712	4	116.3850	3.712	4	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HH){1|B<5>,4|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8250	0.000	1	117.8250	0.000	1	116.1197	3.442	3	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HH){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.2670	1.588	2	115.2670	2.522	2	116.1197	3.442	3	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]HH)	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(CC[6a]HH){1|B<6>,2|C<3>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	115.7036	3.630	9	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	3:4:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C[6a,6a]-3:C-4:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a,6a]C[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	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>}	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:2:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:N[6a]-2:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	110.8180	0.000	1	110.8180	0.000	1	111.2053	0.116	3	111.2053	0.116	3	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:2:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:N[6a]-2:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	111.3990	0.081	2	111.3990	0.006	2	111.2053	0.116	3	111.2053	0.116	3	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.5648	0.401	4	112.5648	0.161	4	112.5900	0.154	7	112.3777	0.462	12	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HO){1|C<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.6237	0.467	3	112.6237	0.218	3	112.5900	0.154	7	112.3777	0.462	12	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.1855	0.805	2	112.1855	0.649	2	112.0806	0.851	5	112.3777	0.462	12	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	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>}	110.6650	0.000	1	112.0107	1.359	3	112.0806	0.851	5	112.3777	0.462	12	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.6835	0.033	2	112.0107	1.359	3	112.0806	0.851	5	112.3777	0.462	12	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(CC[6a]HN)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6])(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(CC[6a]HN){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(OC)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HO){1|C<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	111.0850	0.000	1	111.0850	0.000	1	112.0776	1.545	5	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.5850	0.031	2	112.5850	0.001	2	112.0776	1.545	5	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	110.5370	0.000	1	110.5370	0.000	1	112.0776	1.545	5	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:2:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-2:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO)	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(OH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CC[6a]HO){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>}	113.5960	0.000	1	113.5960	0.000	1	112.0776	1.545	5	112.7007	3.176	7	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:3:1:	6:6:6:6:6:4:	4:3:2:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:N[6a]-2:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HN)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a])	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(NCH)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CC[6a]HN){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	113.8024	6.428	40	113.8024	6.428	40
490	362	643	0:SP3_SP2_SPD6	C	C[5x3,5x5,20x6]	C[6a]	6:3:3:1:	6:6:6:6:6:4:	4:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(CC[6a]HN)	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]C)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(CC[6a]HN){1|B<6>,5|H<1>}	C[6a](CC[5x3,5x5,20x6]HN)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	113.8024	6.428	40	113.8024	6.428	40