490	643	963	0:SP3_SP2_SP2	C	C[6a]	Se[3]	3:3:1:1:	3:3:4:	4:4:4:	Se[3]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3,6,6]-4:C[3,6,6]-4:C-4:	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSe[3]HH)	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH)	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CSe[3]HH){1|C<3>,2|H<1>}	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH){4|H<1>,8|C<4>}	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1
490	643	980	0:SP3_SP2_SP3	C	C[6a]	N[4]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[4]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C[4]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H){2|H<1>}	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	111.9585	0.013	2	111.9585	0.013	2
490	643	980	0:SP3_SP2_SP3	C	C[6a]	N[4]	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[4]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[4]-4:C[4]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	111.9585	0.013	2	111.9585	0.013	2
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(C[5]C[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(CC[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(CC[6a]HH)	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(CC[6a]HH)(N)	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C(CC[6a]HH)(N)	111.0060	0.000	1	112.0700	2.264	2	112.0700	2.264	2	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(CC[6a]HH)(N)	113.1340	0.000	1	112.0700	2.264	2	112.0700	2.264	2	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	C(CC[6a]HH)(N)	114.1180	0.000	1	114.1180	0.000	1	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){4|C<3>}	C(CC[6a]HH)(N)	113.3688	0.639	6	113.3688	0.408	6	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(CCHH){1|O<2>,2|C<3>}	C(CC[6a]HH)(N)	113.5440	0.000	1	113.5440	0.000	1	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCHH){2|C<3>}	C(CC[6a]HH)(N)	111.4190	0.000	1	111.4190	0.000	1	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(N)	113.6560	0.088	2	113.6880	1.131	9	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]HH)(N)	113.9935	0.510	2	113.6880	1.131	9	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(N)	113.5786	1.461	5	113.6880	1.131	9	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]C)2(CCHH){1|C<3>,2|C<4>}	C(CC[6a]HH)(N)	112.3893	0.908	3	112.3893	0.824	3	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(N)	113.4680	0.000	1	113.4680	0.000	1	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]HH)(N)	113.1983	0.258	3	113.4978	0.500	22	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|C<4>}	C(CC[6a]HH)(N)	113.5457	0.857	9	113.4978	0.500	22	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(N)	113.5446	0.680	10	113.4978	0.500	22	113.4108	0.738	44	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:1:	C[6a]-3:C-2:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(N)	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	C(CC[6a]HH)(N)	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.3740	0.813	48	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(CSi)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){2|O<2>,3|C<3>}	C(CC[6a]HH)(CSi)	113.2920	0.000	1	113.2920	0.000	1	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC)	110.4800	0.000	1	109.5840	1.606	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	C(CC[6a]HH)(CC)	108.6880	0.000	1	109.5840	1.606	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CC[6a]HH)(CC[5a])	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>}	C(CC[6a]HH)(CC[5a])	112.9320	0.000	1	112.9320	0.000	1	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	C(CC[6a]HH)(CC[6a])	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a])	113.9510	0.373	2	113.9510	0.139	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]HH)(CC)	112.6610	0.604	2	112.6610	0.365	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|O<2>}	C(CC[6a]HH)(CC)	112.9705	0.654	2	112.9705	0.428	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]O)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(CC)	104.3125	0.060	2	104.3125	0.004	2	111.0985	12.324	12	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(NRu)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(NRu)	112.3347	0.986	14	112.4440	1.081	15	112.4440	1.081	15	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:1:1:	3:3:4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH)	C(CC[6a]HH)(NRu)	C(C[6a]C[6a]2)(CN)(H)2	C[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NRu)	113.9740	0.000	1	112.4440	1.081	15	112.4440	1.081	15	111.8460	6.260	27	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	C(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]CH)(H)	111.6455	3.331	2	111.6455	11.097	2	111.6455	11.097	2	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)2(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CN)2(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	112.3102	1.031	18	112.3102	1.063	18	112.3102	1.063	18	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(CN)(NP)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	C(CC[6a]HO)(N)	112.3147	1.482	3	112.3147	2.195	3	111.9969	5.002	8	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]HO)(N)	113.7977	0.243	3	112.4600	7.197	4	111.9969	5.002	8	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(N)	108.4470	0.000	1	112.4600	7.197	4	111.9969	5.002	8	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(N)	109.1910	0.000	1	109.1910	0.000	1	111.9969	5.002	8	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:1:	C[6a]-3:O-2:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(N)	112.2390	0.165	2	112.2390	0.027	2	112.2390	0.027	2	112.0531	2.659	31	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO)	C(CC[6a]HO)(CH)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CH)	112.4210	0.000	1	112.4210	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO)	C(CC[6a]HO)(CH)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[5,6a]H)(CCHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(CC[6a]HO)(CH)	114.2860	0.000	1	114.2860	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(CC)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC)	114.8570	0.000	1	114.8570	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(CH)	C(C[6a]C[6a]2)(CC)(OC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CH)	111.2530	0.000	1	111.2530	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	C(CC[6a]HO)(CSi)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]HO)(CSi)	112.4440	1.170	3	112.0823	1.437	4	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO)	C(CC[6a]HO)(CSi)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(CCHO){2|O<2>,3|C<3>}	C(CC[6a]HO)(CSi)	110.9970	0.000	1	112.0823	1.437	4	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO)	C(CC[6a]HO)(CC)	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	C(CC[6a]HO)(CC)	112.0670	0.000	1	112.0670	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO)	C(CC[6a]HO)(CN[5a])	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHO){1|H<1>,2|C<3>}	C(CC[6a]HO)(CN[5a])	112.4810	0.000	1	112.4810	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO)	C(CC[6a]HO)(CC[6a])	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC[6a])	108.4090	0.000	1	108.4090	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(CN[5a])	C(C[6a]C[6a]2)(CC)(OH)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CN[5a])	111.6970	0.000	1	111.6970	0.000	1	112.1500	2.856	12	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(SC)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHS)	C(CC[6a]HS)(CC[6a])	C(C[6a]C[6a]2)(CC)(SC)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(CCHS){1|C<3>,1|H<1>}	C(CC[6a]HS)(CC[6a])	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	112.7412	7.162	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:2:4:2:	3:3:4:	4:1:	C[6a]-3:S-2:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCS)	C(CC[6a]CS)(N)	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCS){1|H<1>,2|C<3>}	C(CC[6a]CS)(N)	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:N-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH)	C(CC[6a]2H)(N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(N)	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH)	C(CC[5a]C[6a]H)(N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5a]CH){2|Cl<1>,1|C<3>}	C(CC[5a]C[6a]H)(N)	112.2440	0.000	1	112.2440	0.000	1	111.7680	0.453	2	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C(CC[5a]C[6a]H)(N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C(CC[5a]C[6a]H)(N)	111.2920	0.000	1	111.2920	0.000	1	111.7680	0.453	2	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(CN)(F)	C[6a](C[6a]C[6a]H)2(CCCF)	C(CC[6a]CF)(N)	C(C[6a]C[6a]2)(COO)(CN)(F)	C[6a](C[6a]C[6a]H)2(CCCF){1|C<3>,2|H<1>}	C(CC[6a]CF)(N)	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CC[6a]CH)(N)	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHH)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	C(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHH)(CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]CH)(H)	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]2H)(N)	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(N)	110.6145	0.183	2	110.6145	0.034	2	110.4403	0.108	3	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C(CC[6a]2H)(N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2H)(N)	110.0920	0.000	1	110.0920	0.000	1	110.4403	0.108	3	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){2|H<1>,3|C<3>}	C(CC[6a]HN)(N)	111.6007	0.797	3	111.6007	0.635	3	111.6007	0.635	3	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHN){1|H<1>,4|C<3>}	C(CC[6a]HN)(N)	111.5840	0.000	1	111.5840	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCC)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	112.9940	1.174	2	112.9940	1.378	2	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCHN){2|C<3>}	C(CC[6a]HN)(N)	110.0078	1.143	4	110.0078	1.306	4	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	111.6550	0.000	1	111.6550	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	110.9900	1.136	5	110.9900	1.291	5	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	112.0840	0.000	1	112.0840	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	110.4450	2.075	2	110.4450	4.304	2	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]F)2(CCHN){1|C<3>,2|F<1>}	C(CC[6a]HN)(N)	110.3191	2.121	9	110.3191	4.500	9	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	111.1700	0.000	1	111.1700	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	111.1260	0.000	1	111.1260	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NHS)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(N)	107.8420	0.000	1	107.8420	0.000	1	110.7211	2.860	28	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]N[5]H)(N)	110.8710	0.000	1	111.2777	0.089	4	111.4543	0.190	6	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]CH){1|C<3>,2|H<1>}	C(CC[6a]N[5]H)(N)	111.4133	0.154	3	111.2777	0.089	4	111.4543	0.190	6	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	C(CC[6a]N[5]H)(N)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]N[5]H)(N)	112.2000	0.000	1	112.2000	0.000	1	111.4543	0.190	6	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	C(CC[6a]N[5]H)(N)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	C(CC[6a]N[5]H)(N)	111.4150	0.000	1	111.4150	0.000	1	111.4543	0.190	6	110.9832	2.096	46	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH)	C(CC[5a]C[6a]H)(CC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]CH){2|H<1>,3|C<3>}	C(CC[5a]C[6a]H)(CC[6a])	112.8870	0.000	1	112.8870	0.000	1	112.8870	0.000	1	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[5a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH)	C(CC[5a]C[6a]H)(CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]CH){1|C<3>,2|H<1>}	C(CC[5a]C[6a]H)(CC)	113.2995	0.094	2	113.2995	0.009	2	113.2995	0.009	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH)	C(CC[6a]C[6]H)(CC[6a])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(CC[6a])	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C-3:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	C(CC[6a]CH)(CH)	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH)	C(CC[6a]2H)(CC[6a])	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(CC[6a]2H)(CC[6a])	110.9070	0.000	1	110.9070	0.000	1	112.0106	1.369	8	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]2H)(CB)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CB)	111.8095	1.337	2	111.8095	1.788	2	112.0106	1.369	8	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]2H)(CC[6a])	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a])	112.5850	0.000	1	112.5850	0.000	1	112.0106	1.369	8	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]2H)(CH)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CH)	113.3415	0.524	2	113.3415	0.275	2	112.0106	1.369	8	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH)	C(CC[6a]2H)(CH)	C(C[6a]C[6a]2)2(CC)(H)	C[6a](C[6a]C[6a]O)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CH)	111.1455	0.921	2	111.1455	0.849	2	112.0106	1.369	8	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH)	C(CC[6a]2H)(NPt)	C(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]2H)(NPt)	109.0195	0.892	2	109.0195	0.795	2	109.0195	0.795	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NCC)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CH)	113.3450	0.000	1	113.3450	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CC[6a])	C(C[6a]C[6a]2)(NCO)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a])	113.4550	0.000	1	113.4550	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CC)	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC)	113.7990	0.000	1	113.7990	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CC[6a])	C(C[6a]C[6a]2)(NCS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a])	113.6860	0.000	1	113.6860	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHN){1|H<1>,2|C<3>}	C(CC[6a]HN)(CH)	113.3440	0.000	1	113.3440	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CC)	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC)	113.9270	0.000	1	113.9270	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CN)	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CN)	108.1950	0.000	1	108.1950	0.000	1	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CN[5])	C(C[6a]C[6a]2)(NHS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CN[5])	111.0255	0.992	2	111.0255	0.984	2	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NSS)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHN){1|C<3>,2|H<1>}	C(CC[6a]HN)(CH)	115.6777	0.092	3	115.6777	0.009	3	113.2362	5.013	12	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]CH)	C(CC[6a]N[5]H)(CC[6a])	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CN[5]CH){1|H<1>,2|C<3>}	C(CC[6a]N[5]H)(CC[6a])	111.2990	0.000	1	111.2990	0.000	1	112.5425	3.093	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH)	C(CC[6a]N[5]H)(CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CN[5]CH){2|C<3>}	C(CC[6a]N[5]H)(CC)	113.7860	0.000	1	113.7860	0.000	1	112.5425	3.093	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N[5a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH)	C(CC[6a]N[5a]H)(CC[6a])	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]CH){1|C<3>,2|H<1>}	C(CC[6a]N[5a]H)(CC[6a])	111.9865	1.037	2	111.9865	1.076	2	111.9865	1.076	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:N[6]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH)	C(CC[6a]N[6]H)(CC[6a])	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CN[6]CH){1|C<3>,2|H<1>}	C(CC[6a]N[6]H)(CC[6a])	112.1360	0.462	2	112.1360	0.214	2	112.1360	0.214	2	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:O-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(OZn2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHO)	C(CC[6a]HO)(CC[6a])	C(C[6a]C[6a]2)(OZn2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCHO){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC[6a])	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	112.4409	3.178	34	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:1:	C[5a]-3:C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CC[5a]CC)	C(CC[5a]C[6a]C)(N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]F)2(CC[5a]CC){1|C<3>,2|F<1>}	C(CC[5a]C[6a]C)(N)	111.9450	0.440	2	111.9450	0.193	2	111.9450	0.193	2	110.0060	7.185	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	108.0670	2.514	2	108.0670	6.323	2	108.0670	6.323	2	110.0060	7.185	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO)	C(CC[6a]CO)(CH)	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]CO)(CH)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]O)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	114.7300	0.696	2	114.7300	0.484	2	114.7300	0.484	2	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC)	109.8855	3.252	2	109.8855	10.575	2	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CC[6a])	C(C[6a]C[6a]2)2(CC)(OC)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC[6a])	110.5655	1.761	2	110.5655	3.103	2	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(CC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC)	111.0370	0.975	4	111.0370	0.950	4	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO)	C(CC[6a]2O)(CH)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CH)	109.2400	3.923	2	109.2400	15.390	2	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO)	C(CC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC)	110.4155	0.861	2	110.4155	0.741	2	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CAu)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CAu)	109.9345	1.698	2	109.9345	2.882	2	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC)	110.0150	1.677	68	110.0150	2.813	68	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CC[6a])	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CC[6a])	109.7903	2.552	12	109.7903	6.511	12	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO)	C(CC[6a]2O)(CH)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]H)2(CC[6a]CO){1|C<3>,2|H<1>}	C(CC[6a]2O)(CH)	109.9428	1.231	5	109.9428	1.515	5	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO)	C(CC[6a]2O)(CH)	C(C[6a]C[6a]2)2(CC)(OH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6a]CO){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]2O)(CH)	111.0020	0.000	1	111.0020	0.000	1	110.0345	3.128	100	110.1287	3.465	103	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CN)	C(CC[6a]C[6]N)(N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CN){1|C<3>,2|H<1>}	C(CC[6a]C[6]N)(N)	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CClC)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	108.9480	0.000	1	108.9480	0.000	1	110.1875	0.996	4	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(COO)(NCC)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	110.9945	0.097	2	110.9945	0.009	2	110.1875	0.996	4	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(COO)(NCN)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	109.8130	0.000	1	109.8130	0.000	1	110.1875	0.996	4	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:P-1:	C(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(P)	C(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(P)	108.2417	1.057	3	108.2417	1.116	3	108.2417	1.116	3	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:N-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	111.2000	0.000	1	111.2000	0.000	1	111.2000	0.000	1	109.7074	1.881	10	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(CC)	108.1285	5.062	2	108.1285	25.626	2	109.2070	11.280	4	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(CRu)	C(C[6a]C[6a]2)2(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(CRu)	110.2855	1.887	2	110.2855	3.562	2	109.2070	11.280	4	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CBr)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CBr)	108.6437	1.090	3	108.6437	1.189	3	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]3)(CC)	107.4430	0.000	1	108.1324	0.742	17	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CC)	108.1755	0.870	16	108.1324	0.742	17	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC[5])	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CC[5])	108.5987	1.224	3	108.5987	1.497	3	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC[6])	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CC[6])	108.3794	5.802	18	108.3794	33.663	18	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC[6a])	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]3)(CC[6a])	108.3122	1.169	6	108.3023	1.723	42	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CC[6a])	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CC[6a])	108.3006	1.350	36	108.3023	1.723	42	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(CI)	C(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(CI)	108.7963	1.164	3	108.7963	1.354	3	108.3243	7.821	86	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C)	C(CC[6a]3)(NN)	C(C[6a]C[6a]2)3(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(CC[6a]3)(NN)	106.2670	2.662	3	106.2670	7.084	3	106.2670	7.084	3	108.2959	7.919	93	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:N-1:	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2	C(CC[6a]2C[6])(N)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6a](CC[6a]C[6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[6a]2C[6])(N)	107.1525	1.158	2	107.1525	1.340	2	107.1525	1.340	2	107.1525	1.340	2	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-2:	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(CC[6a]2C[5])(CW)	C(C[6a]C[6a]2)2(C[5]N[5]2)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[6a]2C[5])(CW)	108.9690	4.238	2	108.9690	17.964	2	108.9690	17.964	2	109.7052	9.070	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-2:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C(CC[6a]2N[5a])(CRe)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[6a]2N[5a])(CRe)	110.2830	0.844	2	110.2830	0.713	2	110.0733	8.587	4	109.7052	9.070	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	N[5a]-3:C[6a]-3:C[6a]-3:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-2:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2	C(CC[6a]2N[5a])(CRu)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC)	C[6a](CC[6a]N[5a]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[6a]2N[5a])(CRu)	109.8635	4.987	2	109.8635	24.872	2	110.0733	8.587	4	109.7052	9.070	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:2:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N-1:	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]CC){1|H<1>,2|C<3>}	C(CC[6a]2C)(N)	109.5664	0.488	8	109.5664	0.238	8	109.5664	0.238	8	109.5664	0.238	8	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(CC[6a]C[6]C)(N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]CC){1|H<1>,2|C<3>}	C(CC[6a]2C)(N)	109.0690	0.000	1	109.0690	0.000	1	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(N)	108.0510	0.000	1	108.0510	0.000	1	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(N)	107.6180	0.000	1	107.6180	0.000	1	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(N)	109.1220	4.219	3	109.1220	17.803	3	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(N)	109.6930	0.000	1	109.6930	0.000	1	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CFFH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(N)	112.3420	0.000	1	112.3420	0.000	1	109.2674	7.078	8	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	110.1220	0.000	1	110.1220	0.000	1	109.8685	0.129	2	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	109.6150	0.000	1	109.6150	0.000	1	109.8685	0.129	2	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	N[5]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]CC)	C(CC[6a]N[5]C)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]CC){1|C<3>,2|H<1>}	C(CC[6a]N[5]C)(N)	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:1:	N[5a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[6a](C[6a]C[6a]H)2(CN[5a]CC)	C(CC[6a]N[5a]C)(N)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C[6a](C[6a]C[6a]H)2(CN[5a]CC){1|C<3>,2|H<1>}	C(CC[6a]N[5a]C)(N)	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.6603	4.493	13	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[5a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC)	C(CC[5a]C[6a]C)(CC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC){1|C<3>,2|H<1>}	C(CC[5a]C[6a]C)(CC[6a])	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	110.2755	5.847	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC)	C(CC[6a]2C)(CRu)	C(C[6a]C[6a]2)2(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(CC[6a]2C)(CRu)	110.0540	3.291	2	110.0540	10.830	2	110.0540	10.830	2	110.2755	5.847	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:N-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(CH)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(CH)	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	110.2755	5.847	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C-4:C[6a]-3:C[6a]-3:	C-4:C-2:	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2	C(CC[6a]2C[5])(CC)	C(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[6a](CC[6a]C[5]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[6a]2C[5])(CC)	109.4000	0.746	4	109.4000	0.556	4	109.4000	0.556	4	109.4000	0.556	4	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	C(CC[6a]CH)(N)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	112.0650	0.000	1	112.0650	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]CH)(N)	108.7370	0.000	1	110.0082	1.755	13	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]CH)(N)	110.6240	0.000	1	110.0082	1.755	13	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]CH)(N)	110.4620	0.000	1	110.0082	1.755	13	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	110.0284	1.447	10	110.0082	1.755	13	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C[6a](C[6a]C[6a]C)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C[6a](C[6a]C[6a]C)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	113.3040	0.000	1	113.3040	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	109.8980	0.000	1	109.8980	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	110.2770	0.528	2	110.2770	0.278	2	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]CH)(N)	110.0040	0.000	1	110.0040	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	110.6870	0.000	1	110.6870	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CCCH){2|C<3>}	C(CC[6a]CH)(N)	111.3080	0.000	1	111.3080	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(CC[6a]CH)(N)	111.0830	0.878	4	111.0830	0.770	4	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(N)	110.8970	0.808	2	110.8970	0.652	2	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CH3)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|H<1>,2|C<3>}	C(CC[6a]CH)(N)	112.4210	0.000	1	112.4210	0.000	1	110.5884	1.641	28	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(N)	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(N)	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6a]-3:P[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH)	C(CC[6a]P[6]H)(N)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	C[6a](C[6a]C[6a]H)2(CP[6]CH){1|C<3>,2|H<1>}	C(CC[6a]P[6]H)(N)	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	110.6267	1.898	32	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(CSi)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,2|C<3>}	C(CC[6a]CH)(CSi)	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC3)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CC3)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a])	111.0070	0.368	3	111.0070	0.136	3	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CH)	110.9130	0.000	1	110.9130	0.000	1	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a])	112.1010	0.000	1	112.1010	0.000	1	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH)	C(CC[6a]CH)(CRu)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CRu)	112.5550	0.000	1	112.5550	0.000	1	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC)	109.0900	0.000	1	109.0900	0.000	1	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a])	113.2785	1.071	2	113.2785	1.148	2	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CSi)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CSi)	111.1875	0.562	2	111.1875	0.316	2	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CC[3])	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[3])	111.4900	0.000	1	111.4900	0.000	1	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(CC[6a]CH)(CH)	112.0460	0.279	2	112.0460	0.078	2	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]CH)(CC)	113.8805	1.911	2	113.8805	3.653	2	111.8722	2.004	16	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH)	C(CC[6a]CH)(NRu)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C[6a](C[6a]C[6a]H)2(CCCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NRu)	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	109.2505	0.322	2	109.2505	0.104	2	109.2505	0.104	2	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]CH)	C(CC[6a]C[5]H)(CH)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]CH){2|H<1>,3|C<3>}	C(CC[6a]C[5]H)(CH)	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(CC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a])	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(CH)	111.6880	0.000	1	111.6880	0.000	1	112.6048	3.917	5	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(CC)	114.5960	0.000	1	114.5960	0.000	1	112.6048	3.917	5	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(CH)	111.6055	2.831	2	111.6055	8.012	2	112.6048	3.917	5	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6]CH){1|C<3>,2|H<1>}	C(CC[6a]C[6]H)(CH)	113.5290	0.000	1	113.5290	0.000	1	112.6048	3.917	5	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6a]-3:P-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	C(CC[6a]HP)(CRu)	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	C(CC[6a]HP)(CRu)	117.1380	0.000	1	117.1380	0.000	1	117.1380	0.000	1	112.0481	3.556	28	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:2:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	106.9270	0.000	1	106.9270	0.000	1	107.6645	1.088	2	107.6645	1.088	2	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:2:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	108.4020	0.000	1	108.4020	0.000	1	107.6645	1.088	2	107.6645	1.088	2	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]CC)(N)	111.1950	0.158	2	111.1950	0.025	2	111.2175	0.704	6	111.2175	0.704	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.4350	0.840	2	110.4350	0.706	2	111.2175	0.704	6	111.2175	0.704	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[6a]O)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C[6a](C[6a]C[6a]O)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	112.0225	0.515	2	112.0225	0.266	2	111.2175	0.704	6	111.2175	0.704	6	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	110.8870	0.120	3	110.8870	0.015	3	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	110.5810	0.000	1	110.5810	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CH)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CH)	112.1390	0.546	2	112.1390	0.298	2	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CSi)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CSi)	111.5440	0.000	1	111.5440	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a])	109.9600	0.000	1	109.9600	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO)	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	C(CC[6a]CO)(CC)	110.7890	1.723	2	110.7890	2.967	2	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	C(CC[6a]CO)(CC[3])	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]CO)(CC[3])	113.0110	0.000	1	113.0110	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO)	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC)	111.9400	0.000	1	111.9400	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC)	109.1560	0.000	1	109.1560	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CMo)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CMo)	110.8070	0.000	1	110.8070	0.000	1	111.1083	1.213	14	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:2:2:	3:3:4:	4:2:	C[6a]-3:C-4:O-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C[6a](C[6a]C[6a]H)2(CCCO)	C(CC[6a]CO)(CSi)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C[6a](C[6a]C[6a]H)2(CCCO){1|C<3>,2|H<1>}	C(CC[6a]CO)(CSi)	111.4535	0.163	2	111.4535	0.027	2	111.4535	0.027	2	111.1514	1.067	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.9040	0.000	1	110.9040	0.000	1	110.0963	1.024	9	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.5443	0.427	3	110.5443	0.182	3	110.0963	1.024	9	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	107.9630	0.000	1	107.9630	0.000	1	110.0963	1.024	9	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.0918	0.821	4	110.0918	0.673	4	110.0963	1.024	9	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	109.3300	0.976	2	109.3300	0.952	2	110.0692	1.167	4	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	111.2340	0.000	1	111.2340	0.000	1	110.0692	1.167	4	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C-4:N-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C[6a](C[6a]C[6a]H)2(CCCN)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C[6a](C[6a]C[6a]H)2(CCCN){1|C<3>,2|H<1>}	C(CC[6a]CN)(N)	110.3830	0.000	1	110.3830	0.000	1	110.0692	1.167	4	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CC)	C(CC[6a]C[5]C)(N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CC){1|C<3>,2|H<1>}	C(CC[6a]C[5]C)(N)	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	110.1392	0.456	5	110.1392	0.208	5	110.1392	0.208	5	110.1337	0.715	19	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:2:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:N[6a]-2:C-4:	C-4:N-1:	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:2:4:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	C(CC[6a]CC)(CC)	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(CC)	107.7710	1.479	2	107.7710	2.188	2	108.9057	4.957	3	108.9057	4.957	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:2:4:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:N[6a]-2:C-4:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3)	C(CC[6a]CC)(CC)	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(CC)	111.1750	0.000	1	111.1750	0.000	1	108.9057	4.957	3	108.9057	4.957	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	108.0220	0.000	1	108.0220	0.000	1	108.2187	2.170	6	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	108.5790	0.000	1	108.5790	0.000	1	108.2187	2.170	6	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	107.7780	0.000	1	107.7780	0.000	1	108.2187	2.170	6	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)2(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)2(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|C<4>}	C(CC[6a]CC)(N)	107.4455	2.443	2	107.4455	5.969	2	108.2187	2.170	6	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(N)	110.0420	0.000	1	110.0420	0.000	1	108.2187	2.170	6	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[5]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5]CC)	C(CC[6a]C[5]C)(N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5]CC){1|C<3>,2|H<1>}	C(CC[6a]C[5]C)(N)	108.2052	1.181	5	108.2052	1.395	5	108.2052	1.395	5	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:S-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CS)	C(CC[6a]C[6]S)(N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CS){1|C<3>,2|H<1>}	C(CC[6a]C[6]S)(N)	111.6035	0.029	2	111.6035	0.001	2	111.6035	0.001	2	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:S-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CCCS)	C(CC[6a]CS)(N)	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CCCS){1|C<3>,2|H<1>}	C(CC[6a]CS)(N)	111.7305	0.466	2	111.7305	0.217	2	111.7305	0.217	2	109.1874	3.491	16	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC3)	C(CC[6a]CC)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C[6a](C[6a]C[6a]H)2(CC3){1|C<3>,2|H<1>}	C(CC[6a]CC)(CC[6a])	110.4640	0.624	2	110.4640	0.389	2	110.4640	0.389	2	110.2823	0.293	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	3:4:4:2:	3:3:4:	4:2:	C[6a]-3:C[3]-4:P-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]CP)	C(CC[6a]C[3]P)(CH)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]CP){1|C<3>,2|H<1>}	C(CC[6a]C[3]P)(CH)	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	110.2823	0.293	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(N)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(N)	109.5280	0.000	1	109.5280	0.000	1	111.0411	1.540	7	111.0411	1.540	7	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(N)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(N)	111.8498	0.970	4	111.8498	0.941	4	111.0411	1.540	7	111.0411	1.540	7	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:1:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(N)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(N)	110.1805	0.177	2	110.1805	0.032	2	111.0411	1.540	7	111.0411	1.540	7	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:1:	3:3:4:	4:2:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(CC[6a])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a])	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:1:	3:3:4:	4:3:	C[5]-4:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH)	C(CC[6a]C[5]H)(CC[6a]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[6a](C[6a]C[6a]H)2(CC[5]CH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a]O)	113.3670	0.000	1	113.3670	0.000	1	113.3670	0.000	1	113.3670	0.000	1	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[5]CC)	C(CC[6a]C[5]C)(N)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CN)2	C[6a](C[6a]C[6a]H)2(CC[5]CC){1|C<3>,2|H<1>}	C(CC[6a]C[5]C)(N)	110.2450	1.605	2	110.2450	2.576	2	110.2450	2.576	2	110.1807	1.301	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:2:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:O-2:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CO)	C(CC[6a]C[5]O)(N)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]CO){1|C<3>,2|H<1>}	C(CC[6a]C[5]O)(N)	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.1807	1.301	3	110.6480	5.925	591	110.6480	5.925	591
490	643	983	0:SP3_SP1_SP2	C	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC)	C(CC[6a]C[6]C)(N)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]CC){1|C<3>,2|H<1>}	C(CC[6a]C[6]C)(N)	109.7160	0.090	4	109.7160	0.008	4	109.7160	0.008	4	109.7160	0.008	4	110.6480	5.925	591	110.6480	5.925	591
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	P(C[6a]C[6a]2)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(PC[6a]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]3)(H)	106.9673	3.393	3	106.9673	11.511	3	106.9673	11.511	3	106.9673	11.511	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)3(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	C(C[6a]C[6a]2)3(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	108.0753	5.273	3	108.0753	27.808	3	108.0753	27.808	3	108.0753	27.808	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:4:	3:3:4:	4:2:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	P(CC[6a]3)(OH)2(O)	C(C[6a]C[6a]2)3(PO3)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	P(CC[6a]3)(OH)2(O)	108.0040	1.783	6	108.0040	3.179	6	108.0040	3.179	6	108.0040	3.179	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:3:4:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)3(PC[6]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P)	P(C[6]C[6]2H)2(CC[6a]3)(H)	C(C[6a]C[6a]2)3(PC[6]2H)	C[6a](C[6a]C[6a]H)2(CC[6a]2P){1|C<3>,2|H<1>}	P(C[6]C[6]2H)2(CC[6a]3)(H)	107.7840	4.533	3	107.7840	20.551	3	107.7840	20.551	3	107.7840	20.551	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	3:3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	P(C[6a]C[6a]2)3(CC[6a]2H)	C(C[6a]C[6a]2)2(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]2H)	113.7385	1.626	2	113.7385	2.643	2	113.7385	2.643	2	113.7385	2.643	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	110.5240	2.499	2	110.5240	6.245	2	110.5240	6.245	2	110.5240	6.245	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)(O)2	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP)	P(CC[5a]C[6a]H)(OC[6a])2(O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]HP){1|C<3>,2|H<1>}	P(CC[5a]C[6a]H)(OC[6a])2(O)	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:C-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(OC)2(O)	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	110.7010	0.000	1	110.7010	0.000	1	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	109.4810	1.335	2	109.4810	1.782	2	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	110.8575	1.630	6	110.8575	2.656	6	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CHNP){1|H<1>,2|C<3>}	P(CC[6a]HN)(OC)2(O)	116.2760	0.000	1	116.2760	0.000	1	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	108.8610	0.000	1	108.8610	0.000	1	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)(OH)(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)(OH)(O)	111.7360	0.000	1	111.7360	0.000	1	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	110.0797	1.675	7	110.0797	2.805	7	110.6442	4.066	19	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	N[5a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP)	P(CC[6a]N[5a]H)(OC)2(O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]HP){1|C<3>,2|H<1>}	P(CC[6a]N[5a]H)(OC)2(O)	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	111.0403	5.136	22	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:3:3:1:	C[6a]-3:N[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP){1|C<3>,2|H<1>}	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	112.6820	4.769	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:3:3:1:	N[5]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5]HP){1|C<3>,2|H<1>}	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	113.9360	0.320	2	113.9360	0.102	2	113.9360	0.102	2	112.6820	4.769	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:4:2:1:	C[6a]-3:C[6a]-3:P-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP)	P(CC[6a]2F)2(OC)(O)	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]FP){1|H<1>,4|C<3>}	P(CC[6a]2F)2(OC)(O)	107.5075	3.266	2	107.5075	10.668	2	113.0390	51.024	4	113.0390	51.024	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:4:2:1:	C[6a]-3:C[6a]-3:P-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a]F)2(CC[6a]FP)	P(CC[6a]2F)2(OC)(O)	C(C[6a]C[6a]2)2(PCOO)(F)	C[6a](C[6a]C[6a]F)2(CC[6a]FP){1|C<3>,2|F<1>}	P(CC[6a]2F)2(OC)(O)	118.5705	4.474	2	118.5705	20.015	2	113.0390	51.024	4	113.0390	51.024	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C[6a]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP)	P(CC[6a]2H)(CC3)2(H)	C(C[6a]C[6a]2)2(PCCH)(H)	C[6a](C[6a]C[6a]H)2(CC[6a]HP){1|C<3>,2|H<1>}	P(CC[6a]2H)(CC3)2(H)	113.2415	2.900	2	113.2415	8.409	2	113.2415	8.409	2	113.2415	8.409	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:C[5]-3:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP)	P(CC[6a]C[5]H)(CCHH)3	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	C[6a](C[6a]C[6a]H)2(CC[5]HP){1|C<3>,2|H<1>}	P(CC[6a]C[5]H)(CCHH)3	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:3:4:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:P-4:Si-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP)	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	C(C[6a]C[6a]2)2(PC[6a]BC)(SiCCH)	C[6a](C[6a]C[6a]H)2(CC[6a]SiP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	109.3000	3.800	2	109.3000	14.440	2	109.3000	14.440	2	109.3000	14.440	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	2:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	2:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	N[6a]-2:C[6a]-3:C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	P(CC[6a]HH)(CCCH)2(S)	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:F-1:	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(F)	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(F)	113.5190	2.765	2	113.5190	7.644	2	113.5190	7.644	2	112.9267	9.083	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	109.6970	2.667	2	112.1717	21.929	3	112.1717	21.929	3	112.9267	9.083	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	117.1210	0.000	1	112.1717	21.929	3	112.1717	21.929	3	112.9267	9.083	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	112.9267	9.083	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	112.9267	9.083	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	115.2095	1.913	2	115.2095	3.659	2	115.2095	3.659	2	115.2095	3.659	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	113.8963	1.986	3	113.8963	3.945	3	113.8963	3.945	3	113.8963	3.945	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(CC[6a]HH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(CCCH)2(S)	117.7710	0.264	2	117.7710	0.070	2	117.7710	0.070	2	117.7710	0.070	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	4:4:4:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:N-2:	C(C[6a]C[6a]N[6a])(PCCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(CC[6a]HH)(CCCH)2(NSi)	C(C[6a]C[6a]N[6a])(PCCN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(CCCH)2(NSi)	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:2:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:B-4:C-4:	C(C[6a]C[6a]N[6a])(PBCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP)	P(CC[6a]HH)(CCHH)(BH3)(CC3)	C(C[6a]C[6a]N[6a])(PBCC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(CCHH)(BH3)(CC3)	115.5600	3.927	2	115.5600	15.423	2	115.5600	15.423	2	115.5600	15.423	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP)	P(C[6a]C[6a]2)3(CC[6a]FH)	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	C[6a](C[6a]C[6a]H)2(CFHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]FH)	114.5700	0.000	1	114.5700	0.000	1	114.5700	0.000	1	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)3(CC[6a]HH)	122.0020	0.684	2	122.0020	0.469	2	122.0020	0.469	2	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3(CC[6a]HH)	114.5520	0.000	1	114.5520	0.000	1	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	112.3010	0.000	1	112.3010	0.000	1	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	113.4680	0.000	1	113.4680	0.000	1	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	114.5113	2.339	3	114.5113	5.472	3	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3(CC[6a]HH)	113.1910	0.000	1	113.1910	0.000	1	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|B<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	117.6260	0.000	1	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<2>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	112.2960	0.966	2	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	115.0310	0.000	1	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|F<1>,1|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	113.5130	0.000	1	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)3(CC[6a]HH)	116.9725	1.529	2	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]HH)	114.3148	2.112	68	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|O<2>}	P(C[6a]C[6a]2)3(CC[6a]HH)	114.8250	0.000	1	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<4>,2|C<3>}	P(C[6a]C[6a]2)3(CC[6a]HH)	113.3230	1.369	2	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3(CC[6a]HH)	113.9207	3.895	3	114.3376	4.642	81	114.2999	4.466	88	114.4721	5.611	91	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|H<1>,2|O<1>,3|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	114.5780	1.650	2	114.5780	2.724	2	114.5780	2.724	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP){1|H<1>,3|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	111.4705	2.675	2	111.4705	7.156	2	111.4705	7.156	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	112.5365	0.665	2	112.5365	0.443	2	112.5365	0.443	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	112.9195	1.940	2	112.9195	3.762	2	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	113.5180	0.000	1	113.5180	0.000	1	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	113.3710	0.000	1	113.3710	0.000	1	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|H<1>,1|S<2>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	111.4610	1.386	2	111.4610	1.921	2	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	114.2660	0.000	1	113.5156	6.645	5	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	114.6093	1.757	3	113.5156	6.645	5	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	109.4840	0.000	1	113.5156	6.645	5	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CHHP){3|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	111.8310	0.000	1	111.8310	0.000	1	112.9216	3.640	12	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	112.1100	0.000	2	112.1100	0.000	2	112.1100	0.000	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	118.2480	3.500	2	118.2480	12.251	2	116.2547	18.046	3	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	112.2680	0.000	1	112.2680	0.000	1	116.2547	18.046	3	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	112.6080	0.000	1	112.6080	0.000	1	111.8945	1.018	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){1|O<1>,2|C<3>}	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	111.1810	0.000	1	111.1810	0.000	1	111.8945	1.018	2	113.1601	5.533	25	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(BH3)	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	115.2373	13.468	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	119.2770	0.000	1	119.2770	0.000	1	116.8015	12.256	2	115.2373	13.468	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	114.3260	0.000	1	114.3260	0.000	1	116.8015	12.256	2	115.2373	13.468	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	111.0290	0.000	1	111.0290	0.000	1	111.0290	0.000	1	111.0290	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	112.2841	3.946	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	112.2730	1.294	2	112.2730	1.674	2	112.9393	1.129	6	112.2841	3.946	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	112.9980	0.932	3	112.9980	0.868	3	112.9393	1.129	6	112.2841	3.946	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	114.0960	0.000	1	114.0960	0.000	1	112.9393	1.129	6	112.2841	3.946	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:H-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	114.2750	0.000	1	114.7525	0.456	2	114.7525	0.456	2	115.5342	2.071	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:H-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,1|I<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	115.2300	0.000	1	114.7525	0.456	2	114.7525	0.456	2	115.5342	2.071	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:B-1:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	116.6640	0.243	2	116.6640	0.059	2	116.6640	0.059	2	115.5342	2.071	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CHHP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	115.5342	2.071	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	116.8920	0.000	1	116.8920	0.000	1	116.8920	0.000	1	115.5342	2.071	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)2(BH3)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|Br<1>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6a]HH)2(BH3)	114.8420	1.428	2	114.8420	2.040	2	114.8420	2.040	2	114.4149	3.391	12	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	114.9065	0.764	2	114.9825	0.210	4	114.9825	0.210	4	114.4149	3.391	12	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	115.0585	0.146	2	114.9825	0.210	4	114.9825	0.210	4	114.4149	3.391	12	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	117.1075	0.394	2	117.1075	0.155	2	117.1075	0.155	2	114.4149	3.391	12	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	112.2875	0.271	4	112.2875	0.074	4	112.2875	0.074	4	114.4149	3.391	12	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP){1|N<3>,2|C<3>,2|H<1>}	P(CC[6a]HH)(OH)(O)2	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	P(CC[6a]HH)(OC)(O)2	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	P(CC[6a]HH)(OC)(O)2	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	P(CC[6a]HH)(OH)(O)2	116.3895	0.808	2	116.3895	0.653	2	116.3895	0.653	2	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(OH)(O)2	118.2460	0.000	1	118.2460	0.000	1	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OH)(O)2	115.0130	3.003	4	115.0130	9.017	4	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC)(O)2	115.7560	0.000	1	115.7560	0.000	1	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OH)(O)2	114.5397	2.127	7	115.4701	3.369	17	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OH)(O)2	116.5018	0.557	6	115.4701	3.369	17	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|H<1>,2|C<3>}	P(CC[6a]HH)(OH)(O)2	115.9355	3.470	2	115.4701	3.369	17	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|Ir<6>,1|C<3>,1|H<1>}	P(CC[6a]HH)(OH)(O)2	115.1655	0.320	2	115.4701	3.369	17	115.5237	4.069	23	115.5423	3.903	27	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP){1|N<3>,2|C<3>,2|H<1>}	P(CC[6a]HH)(OH)2(O)	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	P(CC[6a]HH)(OC)(OH)(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	P(CC[6a]HH)(OC)(OH)(O)	112.5230	0.000	1	112.5230	0.000	1	113.6590	0.998	3	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	P(CC[6a]HH)(OC)2(O)	114.0520	0.000	1	114.0520	0.000	1	113.6590	0.998	3	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	P(CC[6a]HH)(OCu)(OC)(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	P(CC[6a]HH)(OCu)(OC)(O)	114.4020	0.000	1	114.4020	0.000	1	113.6590	0.998	3	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	P(CC[6a]HH)(OH)2(O)	115.5613	1.651	4	115.5613	2.724	4	114.0792	6.920	6	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHHP){2|H<1>,3|C<3>}	P(CC[6a]HH)(OC)2(O)	111.1150	0.257	2	111.1150	0.066	2	114.0792	6.920	6	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:C-2:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC[6])(CC)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC[6])(CC)(O)	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OC)2(O)	115.0930	0.000	1	115.0930	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(OCd)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OCd)(OH)(O)	115.2790	0.000	1	115.2790	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OH)2(O)	114.7040	0.546	2	114.7040	0.298	2	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(ONi)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(ONi)(OH)(O)	114.5545	0.296	2	114.5545	0.088	2	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OC)2(O)	114.3830	2.563	3	114.1905	4.528	4	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|F<1>}	P(CC[6a]HH)(OC)2(O)	113.6130	0.000	1	114.1905	4.528	4	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]F)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OH)2(O)	112.9033	1.075	3	112.9033	1.156	3	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC)2(O)	114.1620	0.000	1	114.1620	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHHP){1|C<3>,1|C<4>,1|C<7>}	P(CC[6a]HH)(OH)2(O)	114.3345	0.183	2	114.3345	0.034	2	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC)(OH)(O)	110.0090	0.000	1	110.0090	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC)2(O)	112.8216	1.191	5	113.2692	2.336	6	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|N<2>,2|N<3>}	P(CC[6a]HH)(OC)2(O)	115.5070	0.000	1	113.2692	2.336	6	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OCu)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OCu)(OH)(O)	114.1150	0.000	1	114.1150	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OH)2(O)	112.9040	0.748	2	113.2806	1.551	7	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OH)2(O)	113.3683	1.661	4	113.2806	1.551	7	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|H<1>,2|C<3>}	P(CC[6a]HH)(OH)2(O)	113.6830	0.000	1	113.2806	1.551	7	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(ONi)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(ONi)(OH)(O)	115.9000	0.000	1	115.9000	0.000	1	113.7436	2.259	32	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]N[6a])(PO3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]N[6a])(PO3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){1|N<3>,2|O<1>}	P(CC[6a]HH)(OH)2(O)	112.1610	0.000	1	112.1610	0.000	1	112.1610	0.000	1	113.7905	2.593	44	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP)	P(CC[6a]HH)(OCu)2(OC)	C(C[6a]C[6a,6a]2)(PO3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CHHP){2|H<1>,5|C<3>}	P(CC[6a]HH)(OCu)2(OC)	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	113.9270	6.632	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(OCd)(OH)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(OCd)(OH)2	114.9760	0.000	1	114.9760	0.000	1	113.2105	3.646	6	113.9270	6.632	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP)	P(CC[6a]HH)(ONi)(OH)2	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]C)2(CHHP){1|C<3>,2|C<4>}	P(CC[6a]HH)(ONi)(OH)2	112.1180	0.100	2	112.1180	0.010	2	113.2105	3.646	6	113.9270	6.632	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP)	P(CC[6a]HH)(OH)3	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CHHP){1|C<3>,1|F<1>,1|H<1>}	P(CC[6a]HH)(OH)3	110.5510	0.000	1	110.5510	0.000	1	113.2105	3.646	6	113.9270	6.632	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OCu)2(OH)	C(C[6a]C[6a]2)(PO3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OCu)2(OH)	114.7500	0.949	2	114.7500	0.900	2	113.2105	3.646	6	113.9270	6.632	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:C-4:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC[6])(CHHN)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC[6])(CHHN)(O)	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:2:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:B-4:C-4:	C(C[6a]C[6a]2)(PBCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	C(C[6a]C[6a]2)(PBCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PCHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)2(H)(O)	C(C[6a]C[6a]2)(PCHO)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	P(CC[6a]HH)2(H)(O)	111.5525	1.145	2	111.5525	1.311	2	111.5525	1.311	2	112.6486	6.074	5	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:Se-1:H-1:	C(C[6a]C[6a]2)(PSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(CC3)(Se)(H)	C(C[6a]C[6a]2)(PSeCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(CC3)(Se)(H)	115.1575	0.091	2	115.1575	0.008	2	115.1575	0.008	2	112.6486	6.074	5	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PC[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(PC[6]HO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	112.6486	6.074	5	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(CH3)(OH)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CH3)(OH)(O)	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:B-4:C-4:Cl-1:	C(C[6a]C[6a]2)(PClBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(BH3)(CC3)(Cl)	C(C[6a]C[6a]2)(PClBC)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(BH3)(CC3)(Cl)	114.1160	0.793	2	114.1160	0.629	2	114.1160	0.629	2	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CC3)2(H)	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CC3)2(H)	113.4305	0.488	4	113.4305	0.238	4	112.7613	1.217	6	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(PCCH)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3(H)	111.4230	0.018	2	111.4230	0.000	2	112.7613	1.217	6	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP)	P(CC[6a]HH)(CC3)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP){3|C<3>}	P(CC[6a]HH)(CC3)2(O)	118.8705	1.701	4	118.8705	2.894	4	116.5732	7.237	9	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP)	P(CC[6a]HH)(CCHH)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CHHP){3|C<3>}	P(CC[6a]HH)(CCHH)2(O)	113.5170	1.718	2	113.5170	2.952	2	116.5732	7.237	9	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CCCH)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]HH)(CCCH)2(O)	116.1600	1.031	2	116.1600	1.063	2	116.5732	7.237	9	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)3(O)	C(C[6a]C[6a]2)(PCCO)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3(O)	114.3230	0.000	1	114.3230	0.000	1	116.5732	7.237	9	114.9388	7.403	17	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:3:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-3:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)3(CCC)	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)3(CCC)	113.7192	3.069	6	113.7192	9.416	6	113.7192	9.416	6	113.7192	9.416	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CCHH)3	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	P(CC[6a]HH)(CCHH)3	113.4915	1.631	2	113.4915	2.661	2	113.4915	2.661	2	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[6]C[6]2H)2(CC[6a]HH)2	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){2|H<1>,3|C<3>}	P(C[6]C[6]2H)2(CC[6a]HH)2	114.9175	4.143	2	114.9175	17.164	2	114.9175	17.164	2	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PBCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CCCH)2(BH3)	C(C[6a]C[6a]2)(PBCC)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CCCH)2(BH3)	116.5310	0.973	2	116.5310	0.947	2	116.5310	0.947	2	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP)	P(CC[6a]HH)(CC3)2(CH3)	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CC3)2(CH3)	116.5613	2.250	4	116.5613	5.064	4	117.7950	7.622	7	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(CC3)3	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CC3)3	122.6500	0.000	1	122.6500	0.000	1	117.7950	7.622	7	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(CC[6a]HH)(CCHH)3	117.8350	0.938	2	117.8350	0.879	2	117.7950	7.622	7	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[5]BC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP)	P(C[5]C[5]2Fe)(CC[6a]HH)2(BH3)	C(C[6a]C[6a]2)(PC[5]BC)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHP){1|H<1>,4|C<3>}	P(C[5]C[5]2Fe)(CC[6a]HH)2(BH3)	112.9480	0.464	2	112.9480	0.215	2	112.9480	0.215	2	116.0227	8.813	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP)	P(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]CH)	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	110.5870	0.252	2	110.5870	0.063	2	111.4392	7.712	6	111.8237	7.462	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	107.2260	0.000	1	107.2260	0.000	1	111.4392	7.712	6	111.8237	7.462	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	111.1600	0.000	1	111.1600	0.000	1	111.4392	7.712	6	111.8237	7.462	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	114.5375	0.124	2	114.5375	0.015	2	111.4392	7.712	6	111.8237	7.462	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:Se-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CSeHP)	P(C[6a]C[6a]2)2(CC[6a]SeH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	C[6a](C[6a]C[6a]H)2(CSeHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]SeH)(O)	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	111.8237	7.462	7	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:3:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CAlC)	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(CAlC)	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(BH3)	110.2970	1.185	2	110.2970	1.404	2	110.2970	1.404	2	110.4890	0.813	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CZrHH)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HO)(CZrHH)	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.4890	0.813	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	110.8690	0.199	2	110.8690	0.040	2	110.8690	0.040	2	110.8690	0.040	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:1:1:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:O-1:O-1:	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(H)(O)2	C(C[6a]C[6a]2)(PHOO)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|N<3>}	P(CC[6a]HO)(H)(O)2	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(OC)2(O)	112.3920	0.775	3	112.3920	0.600	3	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(OC)2(O)	110.5110	0.000	1	110.5110	0.000	1	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(OC)2(O)	112.7920	1.935	3	112.7920	3.742	3	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,1|H<1>,1|O<2>}	P(CC[6a]HO)(OC)2(O)	110.1990	0.000	1	111.8908	1.842	9	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(OC)2(O)	112.2701	1.287	7	111.8908	1.842	9	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|Cl<1>,1|C<3>,1|H<1>}	P(CC[6a]HO)(OC)2(O)	110.9270	0.000	1	111.8908	1.842	9	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC[6a])2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(OC[6a])2(O)	111.1880	0.000	1	108.9685	9.852	2	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(OC[6a])2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|Cl<1>,1|C<3>,1|H<1>}	P(CC[6a]HO)(OC[6a])2(O)	106.7490	0.000	1	108.9685	9.852	2	111.7232	3.232	18	111.7594	3.077	19	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(CC3)2(H)	C(C[6a]C[6a]2)(PCCH)(OC)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(CC3)2(H)	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	114.4885	0.001	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(CCHH)2(S)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(CCHH)2(S)	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	114.4885	0.001	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:2:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP)	P(CC[6a]HO)(CCHH)3	C(C[6a]C[6a]2)(PC3)(OH)(H)	C[6a](C[6a]C[6a]H)2(CHOP){1|C<3>,2|H<1>}	P(CC[6a]HO)(CCHH)3	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCFP)	P(C[6a]C[6a]2)2(CC[6a]CF)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CC[6a]O)(F)	C[6a](C[6a]C[6a]H)2(CCFP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CF)(O)	110.8900	1.536	7	110.8900	2.359	7	110.8900	2.359	7	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	110.6530	0.000	1	110.6530	0.000	1	109.4023	4.039	3	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	107.0840	0.000	1	107.0840	0.000	1	109.4023	4.039	3	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	110.4700	0.000	1	110.4700	0.000	1	109.4023	4.039	3	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	110.8690	0.000	1	110.8690	0.000	1	109.6700	2.875	2	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	108.4710	0.000	1	108.4710	0.000	1	109.6700	2.875	2	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	112.3880	0.984	2	112.3880	0.969	2	112.6173	0.642	3	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	113.0760	0.000	1	113.0760	0.000	1	112.6173	0.642	3	110.7753	3.197	15	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	113.8950	0.000	1	113.8950	0.000	1	113.8950	0.000	1	113.8950	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	107.8060	1.131	2	107.8060	1.280	2	107.8060	1.280	2	107.8060	1.280	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	P(CC[6a]CH)(OC)2(O)	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,1|H<1>,1|O<2>}	P(CC[6a]CH)(OC)2(O)	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NCC)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	114.8660	0.000	1	114.8660	0.000	1	112.9381	2.579	16	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	113.0755	0.336	4	113.0755	0.113	4	112.9381	2.579	16	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)2(O)	112.2527	1.437	8	112.2527	2.065	8	112.9381	2.579	16	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC[6a])2(O)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC[6a])2(O)	116.6520	0.000	1	116.6520	0.000	1	112.9381	2.579	16	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NHS)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,1|H<1>,1|N<3>}	P(CC[6a]HN)(OC)2(O)	112.5835	1.518	2	112.5835	2.305	2	112.9381	2.579	16	112.8314	2.405	18	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(CCHH)3	116.0760	0.000	1	116.0760	0.000	1	110.8678	7.289	6	110.8678	7.289	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(CCHH)3	110.2123	0.925	3	110.2123	0.855	3	110.8678	7.289	6	110.8678	7.289	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(CH3)3	108.5160	0.000	1	108.5160	0.000	1	110.8678	7.289	6	110.8678	7.289	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:3:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(CCHH)3	109.9780	0.000	1	109.9780	0.000	1	110.8678	7.289	6	110.8678	7.289	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:2:4:	4:4:4:1:	C[6a]-3:Ge-4:P-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP)	P(CC[6a]GeH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CGeHP){1|C<3>,1|C<4>,1|H<1>}	P(CC[6a]GeH)(CCCH)2(S)	120.0800	1.307	2	120.0800	1.708	2	120.0800	1.708	2	120.0800	1.708	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:3:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(CC[6a]CH)	111.0710	0.831	4	111.0710	0.691	4	111.0710	0.691	4	111.0710	0.691	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	109.5813	0.973	7	109.5813	0.946	7	110.0484	2.557	8	110.8937	5.050	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP)	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	113.3180	0.000	1	113.3180	0.000	1	110.0484	2.557	8	110.8937	5.050	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	113.5670	2.554	3	113.5670	6.523	3	113.5670	6.523	3	110.8937	5.050	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	C[6a](C[6a]C[6a]H)2(CHPP)	P(C[6a]C[6a]2)2(CC[6a]HP)(O)	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,1|C<4>,1|P<4>}	P(C[6a]C[6a]2)2(CC[6a]HP)(O)	110.2650	1.308	2	110.2650	1.711	2	110.2650	1.711	2	110.8937	5.050	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	113.9520	0.000	1	113.9520	0.000	1	113.7450	0.086	2	113.7450	0.086	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	113.5380	0.000	1	113.5380	0.000	1	113.7450	0.086	2	113.7450	0.086	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:S-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHP){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	111.4080	1.432	3	111.4080	2.051	3	111.4080	2.051	3	112.8923	10.179	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	117.3450	0.000	1	117.3450	0.000	1	117.3450	0.000	1	112.8923	10.179	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(OH)(O)2	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(OH)(O)2	109.3025	0.194	2	109.3025	0.038	2	109.3025	0.038	2	111.9717	4.456	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CHNP){2|H<1>,3|C<3>}	P(CC[6a]HN)(OC)(O)2	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	111.9717	4.456	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)(O)2	113.5685	0.172	2	113.5685	0.030	2	113.5703	0.015	3	111.9717	4.456	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHNP){1|C<3>,2|H<1>}	P(CC[6a]HN)(OC)(O)2	113.5740	0.000	1	113.5740	0.000	1	113.5703	0.015	3	111.9717	4.456	6	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(OC)2(O)	111.0380	0.000	1	111.0380	0.000	1	111.8620	1.358	2	112.1655	0.868	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHP)	P(CC[6a]CH)(OH)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCHP){1|H<1>,2|C<3>}	P(CC[6a]CH)(OH)2(O)	112.6860	0.000	1	112.6860	0.000	1	111.8620	1.358	2	112.1655	0.868	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP)	P(CC[6a]HP)(OC)2(O)	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,2|H<1>}	P(CC[6a]HP)(OC)2(O)	112.4690	0.936	2	112.4690	0.876	2	112.4690	0.876	2	112.1655	0.868	4	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:2:2:2:	C[6a]-3:P-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP)	P(CC[6a]HP)(OPd)(OC)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	C[6a](C[6a]C[6a]H)2(CHPP){1|C<3>,2|H<1>}	P(CC[6a]HP)(OPd)(OC)2	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(CC[6a]CH)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(CC[6a]CH)(CCHH)2(O)	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:1:	3:3:4:	4:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6]-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	115.5900	3.212	2	115.5900	10.315	2	115.5900	10.315	2	115.5900	10.315	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	109.7690	0.000	2	109.7690	0.000	2	109.2190	0.908	3	109.2190	0.908	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	3:4:2:1:	C[6a]-3:P-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	108.1190	0.000	1	108.1190	0.000	1	109.2190	0.908	3	109.2190	0.908	3	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:N-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C[6a](C[6a]C[6a]H)2(CCNP)	P(CC[6a]CN)(OC[6a])2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	P(CC[6a]CN)(OC[6a])2(O)	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	110.1627	2.521	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	P(CC[6a]CO)(OC)2(O)	110.5635	0.025	2	110.5635	0.001	2	110.5527	0.277	6	110.1627	2.521	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP)	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CCOP){1|C<3>,2|H<1>}	P(CC[6a]CO)(OC)2(O)	110.5250	0.781	2	110.5250	0.609	2	110.5527	0.277	6	110.1627	2.521	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCOP)	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCOP){1|C<3>,2|H<1>}	P(CC[6a]CO)(OC)2(O)	110.5695	0.880	2	110.5695	0.775	2	110.5527	0.277	6	110.1627	2.521	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:2:2:1:	C[6a]-3:P-4:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)2(OH)	C[6a](C[6a]C[6a]H)2(COPP)	P(CC[6a]OP)(OH)2(O)	C(C[6a]C[6a]2)(PO3)2(OH)	C[6a](C[6a]C[6a]H)2(COPP){1|C<3>,2|H<1>}	P(CC[6a]OP)(OH)2(O)	109.8530	2.330	6	109.8530	5.430	6	109.8530	5.430	6	110.1627	2.521	13	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:2:	3:3:4:	4:3:3:1:	C[6a]-3:C[3]-4:P-4:C-2:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]CP)	P(CC[6a]C[3]C)(C[6a]C[6a]2)2(O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[6a](C[6a]C[6a]H)2(CC[3]CP){1|C<3>,2|H<1>}	P(CC[6a]C[3]C)(C[6a]C[6a]2)2(O)	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:3:	3:3:4:	4:2:1:1:	C[6a]-3:P-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:O-1:	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	P(CC[6a]CN)(OC)(H)(O)	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	P(CC[6a]CN)(OC)(H)(O)	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:3:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	P(CC[6a]CN)(OC)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	P(CC[6a]CN)(OC)2(O)	108.8940	0.000	1	108.8940	0.000	1	107.6190	3.251	2	107.6190	3.251	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:3:	3:3:4:	4:2:2:1:	C[6a]-3:C-4:P-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP)	P(CC[6a]CN)(OC)2(O)	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	P(CC[6a]CN)(OC)2(O)	106.3440	0.000	1	106.3440	0.000	1	107.6190	3.251	2	107.6190	3.251	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:3:	3:3:4:	4:4:2:1:	C[6a]-3:P-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNP)	P(CC[6a]CN)(CHHO)(OC)(O)	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(CCNP){1|C<3>,2|H<1>}	P(CC[6a]CN)(CHHO)(OC)(O)	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	3:4:4:4:	3:3:4:	4:4:4:1:	C[6a]-3:C-4:P-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C[6a](C[6a]C[6a]H)2(CCCP)	P(CC[6a]CC)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C[6a](C[6a]C[6a]H)2(CCCP){1|C<3>,2|H<1>}	P(CC[6a]CC)(CCHH)2(O)	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	4:3:1:1:	3:3:4:	3:4:4:1:	P-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	4:3:4:1:	3:3:4:	3:4:4:1:	P-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(CCHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	114.2570	0.000	1	114.2570	0.000	1	114.2570	0.000	1	114.2570	0.000	1	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	4:3:4:2:	3:3:4:	4:2:2:1:	C[3]-4:C[6a]-3:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]OP)	P(CC[6a]C[3]O)(OC)2(O)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[3]OP){1|C<3>,2|H<1>}	P(CC[6a]C[3]O)(OC)2(O)	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	111.2945	2.449	2	113.1064	9.085	488	113.1064	9.085	488
490	643	992	0:SP3_SP2_SP3	C	C[6a]	P	4:3:4:2:	3:3:4:	4:2:2:1:	C[5]-4:C[6a]-3:P-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:O-2:O-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]OP)	P(CC[6a]C[5]O)(OC)2(O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]OP){1|C<3>,2|H<1>}	P(CC[6a]C[5]O)(OC)2(O)	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	111.2945	2.449	2	113.1064	9.085	488	113.1064	9.085	488
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[3x5,6]	4:3:1:1:	4:3:3:	4:4:4:4:	N[3x5,6]-4:C[6a]-3:H-1:H-1:	C-4:C[6a]-3:C[6a]-3:	B[3x5]-4:C[5,5,6]-4:C[5,5,6]-4:C-4:	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	C[6a](CN[3x5,6]HH)(C[6a]C[6a]H)2	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH)	C(N[3x5,6]C[5,5,6]2B[3x5])(C[6a]C[6a]2)(H)2	C[6a](CN[3x5,6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N[3x5,6](B[3x5]C[5,5,6]O[5]2)(C[5,5,6]C[5,6]C[5]H)2(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>,7|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,5]	4:3:1:1:	3:3:4:	4:4:4:4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH)	C(N[5,5]B[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	N[5,5](B[5,5]O[5]2C)(C[5]C[5]HH)2(CC[6a]HH){2|C<3>,2|H<1>}	113.9207	0.011	3	113.9207	0.000	3	113.9207	0.000	3	114.5503	1.586	4	113.1250	6.664	6	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,5]	4:3:1:1:	3:3:4:	4:4:4:4:	N[5,5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5,5]HH){1|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,3|C<4>,4|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	114.5503	1.586	4	113.1250	6.664	6	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,5]	4:3:4:1:	3:3:4:	4:4:4:1:	N[5,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H)	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH){1|C<3>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]CH)(H){8|H<1>}	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	113.1250	6.664	6	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,5]	4:3:4:1:	3:3:4:	4:4:4:4:	N[5,5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5,5]CH){1|C<3>,2|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6a]CH){1|I<1>,2|O<2>,5|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	113.1250	6.664	6	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,6]	4:3:1:1:	3:2:4:	4:4:4:4:	N[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	112.4820	0.984	2	113.0000	1.289	3	113.0000	1.289	3	113.0000	1.289	3	113.0000	1.289	3	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5,6]	4:3:1:1:	3:2:4:	4:4:4:4:	N[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH)	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	C(N[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]HH){1|H<1>,2|C<3>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|N<3>,5|H<1>}	114.0360	0.000	1	113.0000	1.289	3	113.0000	1.289	3	113.0000	1.289	3	113.0000	1.289	3	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CN[5]HH){2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	112.4517	1.776	9	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[5]HH)	N[5](C[5]C[5]HH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]B[5a]C[6a])(C[6a]C[6a]H)(CN[5]HH){1|C<3>,2|H<1>,3|O<2>}	N[5](C[5]C[5]HH)2(CC[6a]HH)(H){4|H<1>}	112.0670	0.888	3	112.0670	0.788	3	112.5307	1.966	8	112.4517	1.776	9	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[5]HH){1|C<4>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	113.2890	2.700	2	113.2890	7.289	2	112.5307	1.966	8	112.4517	1.776	9	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){4|H<1>}	112.4890	1.244	3	112.4890	1.547	3	112.5307	1.966	8	112.4517	1.776	9	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:B-4:	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3)	C(C[6a]C[6a]2)(N[5]C[5]2B)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(BH3){4|H<1>}	116.1280	0.000	1	116.1280	0.000	1	116.1280	0.000	1	115.9780	1.326	6	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH)	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	115.4005	0.651	2	115.4005	0.424	2	115.9480	1.651	5	115.9780	1.326	6	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CC[5,6]HH)(CC[6a]HH){4|H<1>}	117.0695	1.322	2	117.0695	1.747	2	115.9480	1.651	5	115.9780	1.326	6	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6a]-3:N[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2C)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]HH)(CCHH){4|H<1>}	114.8000	0.000	1	114.8000	0.000	1	115.9480	1.651	5	115.9780	1.326	6	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]BH)	N[5](C[5]C[5]HH)2(CC[6a]BH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(BF3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]BH){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]BH)(H){4|H<1>}	110.4155	0.404	2	110.4155	0.163	2	110.4155	0.163	2	110.1743	0.256	3	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	110.1743	0.256	3	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	3:4:4:4:	3:3:4:	4:4:4:1:	C[6a]-3:N[5]-4:C-4:B-4:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	C[6a](C[6a]C[6a]H)2(CN[5]BC)	N[5](C[5]C[5]HH)2(CC[6a]BC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	C[6a](C[6a]C[6a]H)2(CN[5]BC){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)2(CC[6a]BC)(H){4|H<1>}	104.7940	0.000	1	104.7940	0.000	1	104.7940	0.000	1	104.7940	0.000	1	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	4:3:1:1:	3:3:4:	4:4:2:1:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O[5]-2:H-1:	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C(N[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	4:3:1:1:	3:3:4:	4:4:4:1:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[3,5]-4:C[5]-4:C-4:H-1:	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C(N[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	113.1565	0.390	2	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	4:3:1:1:	3:3:4:	4:4:4:1:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|Br<1>,2|C<4>,4|H<1>}	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.1565	0.390	2	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	4:3:1:1:	3:3:4:	4:4:4:4:	N[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	B[5]-4:C[5]-4:C-4:C-4:	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH)	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(N[5]B[5]C[5]C)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(CN[5]HH){1|C<3>,2|H<1>}	N[5](B[5]C[5]HH)(C[5]C[5]HH)(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	112.8261	7.822	24	113.0574	7.437	34
490	643	999	0:SP3_SP2_SP3	C	C[6a]	N[5]	4:3:4:1:	3:3:4:	4:4:4:1:	N[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(CN[5]CH){1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	112.8261	7.822	24	113.0574	7.437	34
490	658	790	0:SP3_SP-NON_SP3	C	Si[6]	Cl	4:1:1:1:	3:3:4:1:	4:	Si[6]-4:Cl-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:Cl-1:	C-4:	C(Si[6]N[6]2Cl)(Cl)(H)2	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	Cl(CSi[6]HH)	C(Si[6]N[6]2Cl)(Cl)(H)2	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	Cl(CSi[6]HH)	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1
490	658	880	0:SP3_SP3_SP3	C	Si[3x6]	Si	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[3x6]-4:Si-4:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-4:	C-4:C-4:C-4:C-4:	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)3(CSiHH)	Si(CSi[3x6]HH)(CH3)3	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)3(CSiHH){1|Si<4>,6|C<4>}	Si(CSi[3x6]HH)(CH3)3	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	124.7348	1.614	5
490	658	880	0:SP3_SP3_SP3	C	Si[6]	Si	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[6]-4:Si-4:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(Si[6]Si[6]2C)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)2	Si(CSi[6]HH)(CH3)3	C(Si[6]Si[6]2C)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)2{1|Si<4>,4|C<4>}	Si(CSi[6]HH)(CH3)3	123.5810	0.601	2	123.5810	0.361	2	123.5810	0.361	2	124.7373	2.151	4	124.7373	2.151	4	124.7348	1.614	5
490	658	880	0:SP3_SP3_SP3	C	Si[6]	Si	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[6]-4:Si-4:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:Si-4:	C-4:C-4:C-4:C-4:	C(Si[6]Si[6]2Si)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)(SiC3)	Si(CSi[6]HH)(CH3)3	C(Si[6]Si[6]2Si)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)(SiC3){1|Si<4>,4|C<4>}	Si(CSi[6]HH)(CH3)3	125.8935	0.863	2	125.8935	0.745	2	125.8935	0.745	2	124.7373	2.151	4	124.7373	2.151	4	124.7348	1.614	5
490	658	893	0:SP3_SP3_SP3	C	Si[6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[3x6]-4:Si[6]-4:O-2:H-1:	Si[6]-4:Si[6]-4:C-4:O-2:	C-4:Si-4:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC)	O(CC[3x6]Si[6]H)(SiC3)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC){1|Si<4>,4|C<4>}	O(CC[3x6]Si[6]H)(SiC3)	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1
490	658	930	0:SP3_SP2_SP3	C	Si[6]	C	4:3:1:1:	4:4:4:4:	4:3:1:	Si[6]-4:C-3:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:C-3:H-1:	C(Si[6]Si[6]2C)(CCH)(H)2	Si[6](Si[6]Si[6]CC)2(CCHH)2	C(CSi[6]HH)(CHH)(H)	C(Si[6]Si[6]2C)(CCH)(H)2	Si[6](Si[6]Si[6]CC)2(CCHH)2{1|Si<4>,4|C<4>}	C(CSi[6]HH)(CHH)(H)	113.6602	0.975	6	113.6602	0.950	6	113.6602	0.950	6	113.6602	0.950	6	113.6602	0.950	6	113.6602	0.950	6
490	658	951	0:SP3_SP-NON_SP3	C	Si[3x6]	H	4:1:1:1:	2:2:2:4:	4:	Si[3x6]-4:H-1:H-1:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C-4:	C(Si[3x6]O[6,6]3)(H)3	Si[3x6](O[6,6]Si[3x6])3(CH3)	H(CSi[3x6]HH)	C(Si[3x6]O[6,6]3)(H)3	Si[3x6](O[6,6]Si[3x6])3(CH3){3|Si<4>,3|C<4>}	H(CSi[3x6]HH)	110.1600	0.516	2	110.1600	0.266	2	110.1600	0.266	2	110.1600	0.266	2	109.4858	2.339	18	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[3x6]	H	4:1:1:1:	4:4:2:4:	4:	Si[3x6]-4:H-1:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:O[6,6]-2:C-4:	C-4:	C(Si[3x6]Si[6,6]2O[6,6])(H)3	Si[3x6](Si[6,6]Si[3x6]CC)2(O[6,6]Si[3x6])(CH3)	H(CSi[3x6]HH)	C(Si[3x6]Si[6,6]2O[6,6])(H)3	Si[3x6](Si[6,6]Si[3x6]CC)2(O[6,6]Si[3x6])(CH3){1|Si<4>,2|O<2>,3|C<4>}	H(CSi[3x6]HH)	110.5856	1.538	5	110.5856	2.366	5	110.5856	2.366	5	110.5856	2.366	5	109.4858	2.339	18	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[3x6]	H	4:1:1:1:	4:4:4:4:	4:	Si[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(Si[3x6]C[6,6]3)(H)3	Si[3x6](C[6,6]P[6,6]HH)3(CH3)	H(CSi[3x6]HH)	C(Si[3x6]C[6,6]3)(H)3	Si[3x6](C[6,6]P[6,6]HH)3(CH3){1|Nb<6>,6|C<4>}	H(CSi[3x6]HH)	109.4963	0.057	6	109.4963	0.003	6	109.4963	0.003	6	109.4792	0.003	9	109.4858	2.339	18	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[3x6]	H	4:1:1:1:	4:4:4:4:	4:	Si[3x6]-4:H-1:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-4:	C-4:	C(Si[3x6]Si[6,6]3)(H)3	Si[3x6](Si[6,6]Si[5,6,6]CC)2(Si[6,6]Si[6,6]CC)(CH3)	H(CSi[3x6]HH)	C(Si[3x6]Si[6,6]3)(H)3	Si[3x6](Si[6,6]Si[5,6,6]CC)2(Si[6,6]Si[6,6]CC)(CH3){3|Si<4>,4|C<4>}	H(CSi[3x6]HH)	109.4450	0.055	3	109.4450	0.003	3	109.4450	0.003	3	109.4792	0.003	9	109.4858	2.339	18	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[3x6]	H	4:4:1:1:	4:4:4:4:	4:	Si[3x6]-4:Si-4:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:C-4:	C-4:	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)3(CSiHH)	H(CSi[3x6]SiH)	C(Si[3x6]Si[6,6]3)(SiC3)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)3(CSiHH){1|Si<4>,6|C<4>}	H(CSi[3x6]SiH)	106.0915	0.016	2	106.0915	0.000	2	106.0915	0.000	2	106.0915	0.000	2	109.4858	2.339	18	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	3:3:3:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	C-4:	C(Si[6,6]N[3x6]N[6]2)(H)3	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3)	H(CSi[6,6]HH)	C(Si[6,6]N[3x6]N[6]2)(H)3	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3){4|C<4>,6|N<3>}	H(CSi[6,6]HH)	109.4910	0.024	3	109.4910	0.001	3	109.4910	0.001	3	109.4910	0.001	3	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-4:C-4:	C-4:	C(Si[6,6]C[3x6]N[6,6]C)(H)3	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]C[3x6]N[6,6]C)(H)3	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	H(CSi[6,6]HH)	109.4786	0.037	10	109.4786	0.001	10	109.4786	0.001	10	109.4786	0.001	10	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C-4:	C(Si[6,6]C[3x6]2C)(H)3	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]C[3x6]2C)(H)3	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(CSi[6,6]HH)	109.4416	0.062	5	109.4416	0.004	5	109.4416	0.004	5	109.4416	0.004	5	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[3x6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]2C)(H)3	Si[6,6](Si[3x6]Si[6,6]O[6,6]C)2(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]2C)(H)3	Si[6,6](Si[3x6]Si[6,6]O[6,6]C)2(CH3)2{2|Si<4>,4|C<4>}	H(CSi[6,6]HH)	110.9124	2.161	8	110.9124	4.671	8	110.9124	4.671	8	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2C)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2C)(Si[6,6]Si[3x6]CC)(CH3)2{3|Si<4>,4|C<4>}	H(CSi[6,6]HH)	109.4725	0.041	36	109.4725	0.002	36	109.4712	0.001	147	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2{2|Si<4>,1|C<3>,4|C<4>}	H(CSi[6,6]HH)	109.4749	0.046	32	109.4704	0.001	103	109.4712	0.001	147	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2{2|Si<4>,5|C<4>}	H(CSi[6,6]HH)	109.4692	0.038	9	109.4704	0.001	103	109.4712	0.001	147	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]2Si)(Si[6,6]Si[3x6]CC)(CH3)2{3|Si<4>,4|C<4>}	H(CSi[6,6]HH)	109.4682	0.034	62	109.4704	0.001	103	109.4712	0.001	147	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]C[6,6]Si)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[3x6]Si[6,6]C[6,6]Si)(Si[6,6]Si[3x6]CC)(CH3)2{2|Si<4>,2|H<1>,3|C<4>}	H(CSi[6,6]HH)	109.4759	0.034	8	109.4759	0.001	8	109.4712	0.001	147	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[5,3x6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[5,3x6]Si[6,6]C)(H)3	Si[6,6](Si[5,3x6]Si[5,6,6]2C)(Si[6,6]Si[3x6]CC)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[5,3x6]Si[6,6]C)(H)3	Si[6,6](Si[5,3x6]Si[5,6,6]2C)(Si[6,6]Si[3x6]CC)(CH3)2{4|Si<4>,3|C<4>}	H(CSi[6,6]HH)	109.4937	0.018	3	109.4937	0.000	3	109.4937	0.000	3	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[5,6,6]-4:Si[3x6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[5,6,6]Si[3x6]C)(H)3	Si[6,6](Si[5,6,6]Si[5,3x6]Si[5]C)(Si[3x6]Si[6,6]2C)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[5,6,6]Si[3x6]C)(H)3	Si[6,6](Si[5,6,6]Si[5,3x6]Si[5]C)(Si[3x6]Si[6,6]2C)(CH3)2{3|Si<4>,7|C<4>}	H(CSi[6,6]HH)	109.4591	0.036	8	109.4591	0.001	8	109.4591	0.001	8	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[6,6]-4:Si[3x6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[6,6]Si[5,3x6]CC)(Si[3x6]Si[6,6]2C)(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[3x6]Si[6,6]C)(H)3	Si[6,6](Si[6,6]Si[5,3x6]CC)(Si[3x6]Si[6,6]2C)(CH3)2{2|Si<4>,5|C<4>}	H(CSi[6,6]HH)	109.4645	0.049	4	109.4645	0.002	4	109.4645	0.002	4	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6,6]-4:H-1:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:C-4:C-4:	C-4:	C(Si[6,6]Si[6,6]2C)(H)3	Si[6,6](Si[6,6]Si[6]2Si)2(CH3)2	H(CSi[6,6]HH)	C(Si[6,6]Si[6,6]2C)(H)3	Si[6,6](Si[6,6]Si[6]2Si)2(CH3)2{10|C<4>}	H(CSi[6,6]HH)	109.4522	0.018	5	109.4522	0.000	5	109.4522	0.000	5	109.5362	0.281	175	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6,6]	H	4:4:4:1:	3:3:4:4:	4:	Si[6,6]-4:C-4:C-4:H-1:	P[6,6]-3:P[6,6]-3:C-4:C-4:	C-4:	C(Si[6,6]P[6,6]2C)(CH3)2(H)	Si[6,6](P[6,6]P[5,6]Si[6])(P[6,6]Si[6]2)(CCCH)2	H(CSi[6,6]CC)	C(Si[6,6]P[6,6]2C)(CH3)2(H)	Si[6,6](P[6,6]P[5,6]Si[6])(P[6,6]Si[6]2)(CCCH)2{1|Si<4>,1|O<2>,1|P<3>,6|C<4>}	H(CSi[6,6]CC)	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	109.5127	0.312	194	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	2:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-2:N[6]-2:C-4:C-4:	C-4:	C(Si[6]N[6]2C)(H)3	Si[6](N[6]C[6])2(CH3)2	H(CSi[6]HH)	C(Si[6]N[6]2C)(H)3	Si[6](N[6]C[6])2(CH3)2{1|C<4>,2|C<3>}	H(CSi[6]HH)	110.1755	2.213	6	110.1755	4.895	6	110.1755	4.895	6	109.6060	0.868	32	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	2:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(CSi[6]HH)	109.4792	0.030	4	109.4792	0.001	4	109.4746	0.001	26	109.6060	0.868	32	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	2:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6])(O[6]P[6])(CH3)2	H(CSi[6]HH)	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6])(O[6]P[6])(CH3)2{1|W<6>,4|C<4>}	H(CSi[6]HH)	109.4822	0.031	6	109.4822	0.001	6	109.4746	0.001	26	109.6060	0.868	32	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	2:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6])2(CH3)2	H(CSi[6]HH)	C(Si[6]O[6]2C)(H)3	Si[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	H(CSi[6]HH)	109.4720	0.025	5	109.4720	0.001	5	109.4746	0.001	26	109.6060	0.868	32	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	2:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[6]O[6]2C)(H)3	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]O[6]2C)(H)3	Si[6](O[6]Si[5,6])(O[6]Si[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>}	H(CSi[6]HH)	109.4700	0.039	11	109.4700	0.002	11	109.4746	0.001	26	109.6060	0.868	32	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:F[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6,6a]F[6]C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]F[6]C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(F[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CSi[6]HH)	109.4825	0.025	6	109.4825	0.001	6	109.4825	0.001	6	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6,6a]O[6]C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]O[6]C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]Si[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CSi[6]HH)	109.4715	0.005	2	109.4715	0.000	2	109.4715	0.000	2	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]N[6]C)(H)3	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]N[6]C)(H)3	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CH3)2{1|Ti<13>,1|C<4>,3|C<3>}	H(CSi[6]HH)	109.4556	0.036	5	109.4556	0.001	5	109.4556	0.001	5	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]N[6,6]O[6]C)(H)3	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]N[6,6]O[6]C)(H)3	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(CSi[6]HH)	109.4668	0.033	5	109.4668	0.001	5	109.4668	0.001	5	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]N[6]O[6]C)(H)3	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]N[6]O[6]C)(H)3	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(CSi[6]HH)	109.4625	0.032	8	109.4663	0.002	18	109.4663	0.002	18	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]N[6]O[6]C)(H)3	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]N[6]O[6]C)(H)3	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|Zn<3>,1|N<3>,2|C<3>,2|C<4>}	H(CSi[6]HH)	109.4694	0.055	10	109.4663	0.002	18	109.4663	0.002	18	109.4679	0.001	36	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-3:C-4:	C-4:	C(Si[6]N[6]2N)(H)3	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3)	H(CSi[6]HH)	C(Si[6]N[6]2N)(H)3	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	H(CSi[6]HH)	109.4805	0.013	2	109.4805	0.000	2	109.4737	0.001	4	109.4737	0.001	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-3:C-4:	C-4:	C(Si[6]N[6]2N)(H)3	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3)	H(CSi[6]HH)	C(Si[6]N[6]2N)(H)3	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	H(CSi[6]HH)	109.4670	0.054	2	109.4670	0.003	2	109.4737	0.001	4	109.4737	0.001	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:1:	4:	Si[6]-4:Cl-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:Cl-1:	C-4:	C(Si[6]N[6]2Cl)(Cl)(H)2	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	H(CSi[6]ClH)	C(Si[6]N[6]2Cl)(Cl)(H)2	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	H(CSi[6]ClH)	108.8220	0.042	2	108.8220	0.002	2	108.8220	0.002	2	108.8220	0.002	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C-4:	C(Si[6]C[5a,6]2C)(H)3	Si[6](C[5a,6]C[5a,6]S[5a])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5a,6]2C)(H)3	Si[6](C[5a,6]C[5a,6]S[5a])2(CH3)2{1|Si<4>,4|C<3>}	H(CSi[6]HH)	109.4560	0.020	5	109.4560	0.000	5	109.4608	0.000	10	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C-4:	C(Si[6]C[5a,6]2C)(H)3	Si[6](C[5a,6]C[5a,6a]C[5a,6])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5a,6]2C)(H)3	Si[6](C[5a,6]C[5a,6a]C[5a,6])2(CH3)2{1|Si<4>,2|S<2>,4|C<3>}	H(CSi[6]HH)	109.4656	0.024	5	109.4656	0.001	5	109.4608	0.000	10	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[3x6]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[3x6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]C[3x6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4640	0.026	5	109.4640	0.001	5	109.4640	0.001	5	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[3x6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[3x6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4873	0.033	4	109.4873	0.001	4	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4613	0.051	4	109.4613	0.003	4	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	H(CSi[6]HH)	109.4735	0.033	8	109.4735	0.001	8	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4671	0.041	16	109.4714	0.002	32	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4746	0.056	8	109.4714	0.002	32	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	H(CSi[6]HH)	109.4626	0.042	5	109.4714	0.002	32	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]2C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	H(CSi[6]HH)	109.5003	0.019	3	109.4714	0.002	32	109.4722	0.002	48	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{2|H<1>,3|C<3>}	H(CSi[6]HH)	109.4700	0.010	3	109.4700	0.000	3	109.4700	0.000	3	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2{1|H<1>,4|C<3>}	H(CSi[6]HH)	109.4578	0.034	6	109.4578	0.001	6	109.4578	0.001	6	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:C-4:C-4:	C-4:	C(Si[6]N[5a,6]2C)(H)3	Si[6](N[5a,6]C[5a,6]C[5a])2(CH3)2	H(CSi[6]HH)	C(Si[6]N[5a,6]2C)(H)3	Si[6](N[5a,6]C[5a,6]C[5a])2(CH3)2{2|C<4>,5|C<3>}	H(CSi[6]HH)	109.4794	0.035	5	109.4794	0.001	5	109.4794	0.001	5	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:	C(Si[6]N[6]2C)(H)3	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2	H(CSi[6]HH)	C(Si[6]N[6]2C)(H)3	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2{1|N<3>,4|C<4>}	H(CSi[6]HH)	109.4865	0.028	6	109.4865	0.001	6	109.4769	0.001	18	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C-4:	C(Si[6]N[6]2C)(H)3	Si[6](N[6]Si[6]Al)2(CH3)2	H(CSi[6]HH)	C(Si[6]N[6]2C)(H)3	Si[6](N[6]Si[6]Al)2(CH3)2{1|N<3>,4|C<4>}	H(CSi[6]HH)	109.4722	0.024	12	109.4722	0.001	12	109.4769	0.001	18	109.4709	0.001	95	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C-4:	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|F<1>,1|N<3>,4|C<3>,6|H<1>}	H(CSi[6]HH)	109.4720	0.004	2	109.4692	0.000	6	109.4692	0.000	6	109.4518	1.610	9	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C-4:	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6,6]C[6a])(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(CSi[6]HH)	109.4677	0.012	4	109.4692	0.000	6	109.4692	0.000	6	109.4518	1.610	9	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C-4:	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CSi[6]HH)	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CSi[6]HH)	109.4170	2.537	3	109.4170	6.437	3	109.4170	6.437	3	109.4518	1.610	9	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]C[6]C)(H)3	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]C[6]C)(H)3	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(CSi[6]HH)	109.4991	0.043	13	109.4991	0.002	13	109.4991	0.002	13	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[5a,6]C[6]C)(H)3	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]C[5a,6]C[6]C)(H)3	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2{5|C<3>}	H(CSi[6]HH)	109.4744	0.042	5	109.4744	0.002	5	109.4744	0.002	5	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Si<4>,2|C<3>,3|H<1>}	H(CSi[6]HH)	109.4720	0.028	22	109.4720	0.001	22	109.4732	0.001	30	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6a]C[6]C)(H)3	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	H(CSi[6]HH)	109.4765	0.037	8	109.4765	0.001	8	109.4732	0.001	30	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-3:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]C[6]C)(H)3	Si[6](C[6]C[6a]C[6])(Si[6]C[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]C[6]C)(H)3	Si[6](C[6]C[6a]C[6])(Si[6]C[6]CC)(CH3)2{5|C<3>}	H(CSi[6]HH)	109.4642	0.035	9	109.4642	0.001	9	109.4642	0.001	9	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C-4:	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CSi[6]HH)	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(CSi[6]HH)	109.4487	0.014	3	109.4487	0.000	3	109.4434	0.001	5	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	3:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C-4:	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	H(CSi[6]HH)	C(Si[6]C[6a]C[6]2)(H)3	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){3|C<3>,6|H<1>}	H(CSi[6]HH)	109.4355	0.039	2	109.4355	0.002	2	109.4434	0.001	5	109.4750	0.001	62	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[5]-4:O[6]-2:N[6]-3:C-4:	C-4:	C(Si[6]Si[5]N[6]O[6])(H)3	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	H(CSi[6]HH)	C(Si[6]Si[5]N[6]O[6])(H)3	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3){2|C<4>,5|C<3>}	H(CSi[6]HH)	109.4610	0.010	2	109.4610	0.000	2	109.4610	0.000	2	109.4610	0.000	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:1:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:Cl-1:	C-4:	C(Si[6]C[6]O[6]Cl)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl)	H(CSi[6]HH)	C(Si[6]C[6]O[6]Cl)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl){1|N<2>,3|C<4>}	H(CSi[6]HH)	109.4255	0.006	2	109.4255	0.000	2	109.4255	0.000	2	109.4255	0.000	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:2:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C-4:	C(Si[6]C[6]O[6]O)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	H(CSi[6]HH)	C(Si[6]C[6]O[6]O)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|N<2>,2|C<4>}	H(CSi[6]HH)	109.4787	0.022	3	109.4787	0.000	3	109.4787	0.000	3	109.4787	0.000	3	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[3x6]O[6]C)(H)3	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[3x6]O[6]C)(H)3	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(CSi[6]HH)	109.4738	0.034	11	109.4738	0.001	11	109.4738	0.001	11	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6,6]O[6]C)(H)3	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6]O[6]C)(H)3	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2{1|N<3>,3|C<4>,4|H<1>}	H(CSi[6]HH)	109.4774	0.039	5	109.4774	0.002	5	109.4731	0.001	11	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6,6]O[6]C)(H)3	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6,6]O[6]C)(H)3	Si[6](C[6,6]C[6,6]C[6a]C[6])(O[6]Si[6])(CH3)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(CSi[6]HH)	109.4695	0.038	6	109.4695	0.001	6	109.4731	0.001	11	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]N[6]C)(H)3	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]N[6]C)(H)3	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2{1|C<4>,4|C<3>}	H(CSi[6]HH)	109.4567	0.037	4	109.4567	0.001	4	109.4567	0.001	4	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2{1|C<3>,4|C<4>}	H(CSi[6]HH)	109.4693	0.031	9	109.4693	0.001	9	109.7543	2.853	52	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>}	H(CSi[6]HH)	110.6988	3.458	12	110.6988	11.956	12	109.7543	2.853	52	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2{1|N<2>,2|C<3>}	H(CSi[6]HH)	109.4726	0.042	5	109.4726	0.002	5	109.7543	2.853	52	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]O[6]C)(H)3	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	H(CSi[6]HH)	109.4712	0.033	26	109.4712	0.001	26	109.7543	2.853	52	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:2:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]Si[6]O[6]C)(H)3	Si[6](Si[6]O[6]CC)(O[6]C[6,6a])(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]O[6]C)(H)3	Si[6](Si[6]O[6]CC)(O[6]C[6,6a])(CH3)2{2|C<3>}	H(CSi[6]HH)	109.4823	0.029	6	109.4823	0.001	6	109.4823	0.001	6	109.6471	1.772	84	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C-4:	C(Si[6]C[5,6]C[6a]C[6])(H)3	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(CSi[6]HH)	C(Si[6]C[5,6]C[6a]C[6])(H)3	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CSi[6]HH)	111.5497	4.929	3	111.5497	24.292	3	111.5497	24.292	3	109.6872	2.151	29	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2{3|C<3>}	H(CSi[6]HH)	109.4677	0.030	6	109.4677	0.001	6	109.4665	0.001	17	109.6872	2.151	29	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2{5|C<3>}	H(CSi[6]HH)	109.4640	0.028	4	109.4640	0.001	4	109.4665	0.001	17	109.6872	2.151	29	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]2C)(H)3	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	H(CSi[6]HH)	109.4669	0.035	7	109.4669	0.001	7	109.4665	0.001	17	109.6872	2.151	29	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:3:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Ge[6]-3:C-4:C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Si[6]Ge[6]CC)(Ge[6]Si[6]C)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Si[6]Ge[6]CC)(Ge[6]Si[6]C)(CH3)2{3|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4833	0.042	9	109.4833	0.002	9	109.4833	0.002	9	109.6872	2.151	29	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C[6a]-3:C-4:	C-4:	C(Si[6]C[6a]Si[6]2)(H)3	Si[6](Si[6]C[6a]Si[6]C)(Si[6]Si[6]CC)(C[6a]C[6a]2)(CH3)	H(CSi[6]HH)	C(Si[6]C[6a]Si[6]2)(H)3	Si[6](Si[6]C[6a]Si[6]C)(Si[6]Si[6]CC)(C[6a]C[6a]2)(CH3){1|Si<4>,2|H<1>,4|C<3>,4|C<4>}	H(CSi[6]HH)	109.4508	0.062	9	109.4508	0.004	9	109.4508	0.004	9	109.4505	0.003	11	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:3:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:N-3:C-4:	C-4:	C(Si[6]Si[6]2N)(H)3	Si[6](Si[6]Si[6]CC)2(NSi2)(CH3)	H(CSi[6]HH)	C(Si[6]Si[6]2N)(H)3	Si[6](Si[6]Si[6]CC)2(NSi2)(CH3){1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4490	0.020	2	109.4490	0.000	2	109.4490	0.000	2	109.4505	0.003	11	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:1:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-1:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)(C)	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)(C){2|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4645	0.016	2	109.4645	0.000	2	109.4645	0.000	2	109.4645	0.000	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:2:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:O-2:	C-4:	C(Si[6]Si[6]2O)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)(OSi)	H(CSi[6]HH)	C(Si[6]Si[6]2O)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)(OSi){1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4463	0.011	3	109.4463	0.000	3	109.4463	0.000	3	109.4463	0.000	3	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[4x6]C[6]C)(H)3	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]C[4x6]C[6]C)(H)3	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2{3|C<3>,3|C<4>,3|H<1>}	H(CSi[6]HH)	109.4692	0.053	6	109.4692	0.003	6	109.4692	0.003	6	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2{1|B<3>,2|H<1>,4|C<4>}	H(CSi[6]HH)	109.4790	0.021	3	109.4667	0.002	25	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	H(CSi[6]HH)	109.4724	0.037	18	109.4667	0.002	25	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2{2|H<1>,5|C<4>}	H(CSi[6]HH)	109.4320	0.052	4	109.4667	0.002	25	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Mo)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Mo)2(CH3)2{2|H<1>,5|C<4>}	H(CSi[6]HH)	109.4712	0.028	5	109.4712	0.001	5	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Re)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Re)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	H(CSi[6]HH)	109.4861	0.065	26	109.4723	0.003	44	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Re)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Re)2(CH3)2{2|H<1>,5|C<4>}	H(CSi[6]HH)	109.4523	0.036	18	109.4723	0.003	44	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Ru)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Ru)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	H(CSi[6]HH)	109.4798	0.025	11	109.4798	0.001	11	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Ti)2(CH3)2	H(CSi[6]HH)	C(Si[6]C[5,6]2C)(H)3	Si[6](C[5,6]C[5,6]C[5]Ti)2(CH3)2{2|H<1>,5|C<4>}	H(CSi[6]HH)	109.4700	0.033	4	109.4700	0.001	4	109.4715	0.002	89	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Ge[4,6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[4,6]Si[6]C)(H)3	Si[6](Ge[4,6]Ge[4]C[4]C[6])(Si[6]Ge[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[4,6]Si[6]C)(H)3	Si[6](Ge[4,6]Ge[4]C[4]C[6])(Si[6]Ge[6]CC)(CH3)2{4|Si<4>,4|C<3>}	H(CSi[6]HH)	109.4502	0.029	6	109.4502	0.001	6	109.4711	0.001	11	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Ge[4,6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[4,6]Si[6]C)(H)3	Si[6](Ge[4,6]Si[4]C[4]C[6])(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[4,6]Si[6]C)(H)3	Si[6](Ge[4,6]Si[4]C[4]C[6])(Si[6]Si[6]CC)(CH3)2{4|Si<4>,4|C<3>}	H(CSi[6]HH)	109.4962	0.029	5	109.4962	0.001	5	109.4711	0.001	11	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Ge[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]Si2)(Si[6]Ge[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]Si2)(Si[6]Ge[6]CC)(CH3)2{1|Si<4>,1|C<3>,2|C<4>}	H(CSi[6]HH)	109.4557	0.030	8	109.4679	0.001	32	109.4663	0.001	53	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Ge[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]Si2)(Si[6]Ge[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]Si2)(Si[6]Ge[6]CC)(CH3)2{2|Si<4>,1|C<3>,2|C<4>}	H(CSi[6]HH)	109.4720	0.039	24	109.4679	0.001	32	109.4663	0.001	53	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Ge[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]SiC)(Si[6]Ge[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Ge[6]Si[6]SiC)(Si[6]Ge[6]CC)(CH3)2{3|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4639	0.037	21	109.4639	0.001	21	109.4663	0.001	53	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[6]P[6]C)(H)3	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]C[6]P[6]C)(H)3	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	H(CSi[6]HH)	109.4852	0.031	8	109.4852	0.001	8	109.4852	0.001	8	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[5,6]-4:C[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[5,6]C[6]C)(H)3	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[5,6]C[6]C)(H)3	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2{2|Si<4>,6|C<4>}	H(CSi[6]HH)	109.4714	0.030	7	109.4714	0.001	7	109.4714	0.001	7	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6,6]-4:C[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6,6]C[6]C)(H)3	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6,6]C[6]C)(H)3	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2{1|Si<4>,7|C<4>}	H(CSi[6]HH)	109.4770	0.029	11	109.4770	0.001	11	109.4770	0.001	11	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Ge[6]-4:C-4:C-4:	C-4:	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Si[6]Ge[4,6]CC)(Ge[6]C[6]Si2)(CH3)2	H(CSi[6]HH)	C(Si[6]Ge[6]Si[6]C)(H)3	Si[6](Si[6]Ge[4,6]CC)(Ge[6]C[6]Si2)(CH3)2{1|Ge<4>,1|H<1>,2|C<3>}	H(CSi[6]HH)	109.4944	0.050	5	109.4944	0.003	5	109.4944	0.003	5	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6]Si2)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,1|C<4>,2|H<1>}	H(CSi[6]HH)	109.4778	0.038	9	109.4778	0.001	9	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]2Si[6])(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]2Si[6])(Si[6]Si[6]CC)(CH3)2{1|Si<4>,4|C<3>,4|C<4>}	H(CSi[6]HH)	109.4649	0.033	7	109.4649	0.001	7	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]2Si[6])2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]2Si[6])2(CH3)2{1|Si<4>,4|C<4>,8|C<3>}	H(CSi[6]HH)	109.4975	0.035	6	109.4975	0.001	6	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]Si[6]C)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]C[6a]Si[6]C)(Si[6]Si[6]CC)(CH3)2{1|Si<4>,3|C<3>,3|C<4>}	H(CSi[6]HH)	109.4814	0.064	14	109.4814	0.004	14	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Ge[4,6]CC)(Si[6]C[6]Si2)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Ge[4,6]CC)(Si[6]C[6]Si2)(CH3)2{1|Si<4>,1|H<1>,2|C<3>}	H(CSi[6]HH)	109.4882	0.034	4	109.4882	0.001	4	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[3,6]CC)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[3,6]CC)(Si[6]Si[6]CC)(CH3)2{1|Si<3>,1|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4918	0.031	6	109.4918	0.001	6	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CN)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CN)(CH3)2{1|Si<4>,1|N<3>,3|C<4>}	H(CSi[6]HH)	109.4744	0.022	7	109.4744	0.000	7	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CO)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CO)(CH3)2{1|Si<4>,1|O<2>,3|C<4>}	H(CSi[6]HH)	109.4694	0.050	8	109.4642	0.002	17	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CO)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)(Si[6]Si[6]CO)(CH3)2{3|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4596	0.033	9	109.4642	0.002	17	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{1|Si<4>,1|C<3>,3|C<4>}	H(CSi[6]HH)	109.4585	0.049	13	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{1|Si<4>,2|Cl<1>,2|C<4>}	H(CSi[6]HH)	109.4561	0.034	7	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{1|Si<4>,4|C<3>}	H(CSi[6]HH)	109.4672	0.040	5	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4671	0.039	21	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{2|Si<4>,3|C<4>}	H(CSi[6]HH)	109.4737	0.038	25	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]CC)2(CH3)2{5|Si<4>}	H(CSi[6]HH)	109.4608	0.019	4	109.4665	0.002	75	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,1|C<1>,1|C<4>}	H(CSi[6]HH)	109.4834	0.045	5	109.4771	0.002	15	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]HfSi)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4739	0.039	10	109.4771	0.002	15	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SbSi)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SbSi)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4721	0.055	19	109.4721	0.003	19	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2{1|Si<4>,1|O<2>,3|C<4>}	H(CSi[6]HH)	109.4618	0.042	6	109.4684	0.002	61	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2{1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4682	0.009	4	109.4684	0.002	61	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,1|C<3>,2|C<4>}	H(CSi[6]HH)	109.4745	0.030	15	109.4684	0.002	61	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,3|C<4>}	H(CSi[6]HH)	109.4620	0.058	17	109.4684	0.002	61	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)(Si[6]Si[6]CC)(CH3)2{3|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4713	0.036	19	109.4684	0.002	61	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)2(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]Si2)2(CH3)2{1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4737	0.050	15	109.4737	0.002	15	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2{1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4748	0.049	19	109.4680	0.002	71	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2{2|Si<4>,3|C<4>}	H(CSi[6]HH)	109.4726	0.039	18	109.4680	0.002	71	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2	H(CSi[6]HH)	C(Si[6]Si[6]2C)(H)3	Si[6](Si[6]Si[6]SiC)(Si[6]Si[6]CC)(CH3)2{3|Si<4>,2|C<4>}	H(CSi[6]HH)	109.4619	0.052	34	109.4680	0.002	71	109.4706	0.002	326	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:Si-4:C-4:	C-4:	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiC3)(CH3)	H(CSi[6]HH)	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiC3)(CH3){1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4796	0.023	8	109.4796	0.001	8	109.4860	0.001	17	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:Si-4:C-4:	C-4:	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiSi2F)(CH3)	H(CSi[6]HH)	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiSi2F)(CH3){1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4960	0.043	3	109.4960	0.002	3	109.4860	0.001	17	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:1:1:1:	4:4:4:4:	4:	Si[6]-4:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:Si-4:C-4:	C-4:	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiSi3)(CH3)	H(CSi[6]HH)	C(Si[6]Si[6]2Si)(H)3	Si[6](Si[6]Si[6]CC)2(SiSi3)(CH3){1|Si<4>,4|C<4>}	H(CSi[6]HH)	109.4895	0.052	6	109.4895	0.003	6	109.4860	0.001	17	109.4714	0.002	533	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:3:1:1:	3:3:4:1:	4:	Si[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:Br-1:	C-4:	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	H(CC[6a]Si[6]H)	C(Si[6]N[6]2Br)(C[6a]C[6a]2)(H)2	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	H(CC[6a]Si[6]H)	107.1350	0.011	2	107.1350	0.000	2	107.1350	0.000	2	107.1350	0.000	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:3:1:1:	4:4:4:4:	4:	Si[6]-4:C-3:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(CCH)(H)2	Si[6](Si[6]Si[6]CC)2(CCHH)2	H(CSi[6]CH)	C(Si[6]Si[6]2C)(CCH)(H)2	Si[6](Si[6]Si[6]CC)2(CCHH)2{1|Si<4>,4|C<4>}	H(CSi[6]CH)	108.8425	0.219	8	108.8425	0.048	8	108.8425	0.048	8	108.8425	0.048	8	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:1:1:	3:2:4:4:	4:	Si[6]-4:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6]N[6]C)(CH3)(H)2	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CCHH)2	H(CSi[6]CH)	C(Si[6]C[6]N[6]C)(CH3)(H)2	Si[6](C[6]C[6a]C[6])(N[6]C[6])(CCHH)2{1|Ti<13>,1|C<4>,3|C<3>}	H(CSi[6]CH)	108.5940	0.183	4	108.5940	0.033	4	108.5940	0.033	4	108.5940	0.033	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:1:1:	4:2:4:4:	4:	Si[6]-4:C-4:H-1:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C-4:	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	H(CSi[6]CH)	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	H(CSi[6]CH)	108.4185	0.363	8	108.4185	0.132	8	108.4185	0.132	8	108.4185	0.132	8	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:Si-4:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:C-4:	C-4:	C(Si[6]Si[6]2C)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)2	H(CSi[6]SiH)	C(Si[6]Si[6]2C)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)2{1|Si<4>,4|C<4>}	H(CSi[6]SiH)	106.4455	0.117	4	106.4455	0.014	4	106.4455	0.014	4	106.1283	0.136	8	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:Si-4:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:Si-4:	C-4:	C(Si[6]Si[6]2Si)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)(SiC3)	H(CSi[6]SiH)	C(Si[6]Si[6]2Si)(SiC3)(H)2	Si[6](Si[6]Si[6]CC)2(CSiHH)(SiC3){1|Si<4>,4|C<4>}	H(CSi[6]SiH)	105.8110	0.189	4	105.8110	0.036	4	105.8110	0.036	4	106.1283	0.136	8	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:2:1:	4:4:4:2:	4:	C[3x6]-4:Si[6]-4:O-2:H-1:	Si[6]-4:Si[6]-4:C-4:O-2:	C-4:	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC)	H(CC[3x6]Si[6]O)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC){1|Si<4>,4|C<4>}	H(CC[3x6]Si[6]O)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	2:2:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C-4:	C(Si[6]O[6]2C)(CH3)2(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2	H(CSi[6]CC)	C(Si[6]O[6]2C)(CH3)2(H)	Si[6](O[6]C[6,6])(O[6]C[6])(CCCH)2{1|C<3>,1|H<1>,3|C<4>}	H(CSi[6]CC)	105.6205	2.539	2	105.6205	6.448	2	105.6205	6.448	2	105.6205	6.448	2	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	3:2:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	P[6,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]P[5,6])(O[6]Si[6])(CCCH)2	H(CSi[6]CC)	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]P[5,6])(O[6]Si[6])(CCCH)2{1|Si<4>,2|P<3>,4|C<4>}	H(CSi[6]CC)	105.7800	0.724	2	105.7800	0.524	2	106.0088	0.393	4	106.0088	0.393	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	3:2:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	P[6,6]-3:O[6]-2:C-4:C-4:	C-4:	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]Si[6])(O[6]Si[6])(CCCH)2	H(CSi[6]CC)	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]Si[6])(O[6]Si[6])(CCCH)2{2|P<3>,6|C<4>}	H(CSi[6]CC)	106.2375	0.667	2	106.2375	0.445	2	106.0088	0.393	4	106.0088	0.393	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	3:3:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2	H(CSi[6]CC)	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2{1|H<1>,1|O<2>,3|C<3>}	H(CSi[6]CC)	107.3095	0.363	2	107.3095	0.132	2	107.3095	0.132	2	106.7035	0.720	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	3:3:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	P[6,6]-3:P[5,6]-3:C-4:C-4:	C-4:	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]Si[6])(P[5,6]P[5,6]Si[5])(CCCH)2	H(CSi[6]CC)	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	Si[6](P[6,6]Si[6,6]Si[6])(P[5,6]P[5,6]Si[5])(CCCH)2{1|Si<4>,1|P<3>,2|O<2>,6|C<4>}	H(CSi[6]CC)	106.0975	0.747	2	106.0975	0.559	2	106.0975	0.559	2	106.7035	0.720	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	3:4:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2	H(CSi[6]CC)	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2{1|C<4>,2|H<1>,3|C<3>}	H(CSi[6]CC)	105.5825	0.643	4	105.5825	0.414	4	105.5825	0.414	4	105.5825	0.414	4	109.3858	0.598	956	109.4084	0.577	1168
490	658	951	0:SP3_SP-NON_SP3	C	Si[6]	H	4:4:4:1:	4:4:4:4:	4:	Si[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(Si[6]C[6]2C)(CH3)2(H)	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2	H(CSi[6]CC)	C(Si[6]C[6]2C)(CH3)2(H)	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2{1|C<4>,2|C<3>}	H(CSi[6]CC)	106.1300	0.092	2	106.1300	0.008	2	106.1300	0.008	2	106.1300	0.008	2	109.3858	0.598	956	109.4084	0.577	1168
490	670	992	0:SP3_SP2_SP3	C	Ge	P	4:3:4:4:	4:1:1:	3:3:3:4:	P-4:Ge-3:C-4:C-4:	C-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(GeCl2)(CH3)2	Ge(CCCP)(Cl)2	P(C[6a]C[6a]2)3(CGeCC)	C(PC[6a]3)(GeCl2)(CH3)2	Ge(CCCP)(Cl)2	P(C[6a]C[6a]2)3(CGeCC)	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1	111.1120	0.000	1
490	679	880	0:SP3_SP3_SP3	C	B[5a]	Si	4:3:4:1:	2:2:4:3:	4:4:4:4:	B[5a]-4:C[6a]-3:Si-4:H-1:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C-4:C-4:C-4:C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	Si(CB[5a]C[6a]H)(CH3)3	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	Si(CB[5a]C[6a]H)(CH3)3	114.5407	0.767	3	114.5407	0.588	3	114.5407	0.588	3	114.5407	0.588	3	114.5407	0.588	3	114.5407	0.588	3
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:1:1:1:	2:2:3:4:	4:	B[5a]-4:H-1:H-1:H-1:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	C-4:	C(B[5a]O[5a]2N[6])(H)3	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	H(CB[5a]HH)	C(B[5a]O[5a]2N[6])(H)3	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	H(CB[5a]HH)	109.4665	0.029	4	109.4665	0.001	4	109.4665	0.001	4	109.4665	0.001	4	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:1:1:1:	3:3:4:4:	4:	B[5a]-4:H-1:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:C-4:C-4:	C-4:	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2	H(CB[5a]HH)	C(B[5a]C[5a,6a]N[5,5a]C)(H)3	B[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5,5a]C[5])(CH3)2{1|H<1>,5|C<3>}	H(CB[5a]HH)	109.4769	0.034	16	109.4769	0.001	16	109.4769	0.001	16	109.4781	0.001	18	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:1:1:1:	3:3:4:4:	4:	B[5a]-4:H-1:H-1:H-1:	N[5a,5a]-3:N[5a,6]-3:C[5]-4:C-4:	C-4:	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3)	H(CB[5a]HH)	C(B[5a]N[5a,5a]N[5a,6]C[5])(H)3	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(CH3){2|C<4>,3|H<1>,5|C<3>}	H(CB[5a]HH)	109.4880	0.007	2	109.4880	0.000	2	109.4880	0.000	2	109.4781	0.001	18	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:2:1:1:	3:3:4:4:	4:	B[5a]-4:C-2:H-1:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-4:	C-4:	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH)	H(CB[5a]CH)	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH){2|C<4>,4|C<3>,4|H<1>}	H(CB[5a]CH)	109.1380	0.017	2	109.1380	0.000	2	109.1380	0.000	2	109.1380	0.000	2	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:3:4:1:	2:2:4:3:	4:	B[5a]-4:C[6a]-3:Si-4:H-1:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C-4:	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	H(CB[5a]C[6a]Si)	C(B[5a]O[5a]2N[6])(C[6a]C[6a]2)(SiC3)(H)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	H(CB[5a]C[6a]Si)	104.7100	0.706	3	104.7100	0.498	3	104.7100	0.498	3	104.7100	0.498	3	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:4:1:1:	3:3:4:4:	4:	B[5a]-4:C-4:H-1:H-1:	N[5a,5a]-3:C[5a,5a]-3:C-4:C-4:	C-4:	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2	H(CB[5a]CH)	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]N[5a,5a]N[5a])(CCHH)2{1|C<4>,5|C<3>}	H(CB[5a]CH)	108.2913	0.178	4	108.2913	0.032	4	108.2913	0.032	4	108.2919	0.040	18	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:4:1:1:	3:3:4:4:	4:	B[5a]-4:C-4:H-1:H-1:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	C-4:	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	H(CB[5a]CH)	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(CB[5a]CH)	108.3283	0.045	7	108.3283	0.002	7	108.3283	0.002	7	108.2919	0.040	18	108.6696	1.501	45	108.6696	1.501	45
490	679	951	0:SP3_SP-NON_SP3	C	B[5a]	H	4:4:1:1:	3:3:4:4:	4:	B[5a]-4:C-4:H-1:H-1:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	C-4:	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	H(CB[5a]CH)	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	H(CB[5a]CH)	108.2559	0.303	7	108.2559	0.092	7	108.2559	0.092	7	108.2919	0.040	18	108.6696	1.501	45	108.6696	1.501	45
490	679	983	0:SP3_SP1_SP3	C	B[5a]	C	4:2:1:1:	3:3:4:4:	4:1:	B[5a]-4:C-2:H-1:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-4:	C-4:N-1:	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH)	C(CB[5a]HH)(N)	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH){2|C<4>,4|C<3>,4|H<1>}	C(CB[5a]HH)(N)	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1	112.3890	0.000	1
490	722	722	0:SP3_SPD5_SPD5	C	Si[4]	Si[4]	5:5:1:1:	3:3:4:1:1:	3:3:4:1:1:	Si[4]-5:Si[4]-5:H-1:H-1:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	C(Si[4]N[4]2Cl2)2(H)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	C(Si[4]N[4]2Cl2)2(H)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	128.2900	0.000	1	128.2900	0.000	1	128.2900	0.000	1	128.2900	0.000	1	128.2900	0.000	1	128.2900	0.000	1
490	722	951	0:SP3_SP-NON_SPD5	C	Si[4,4]	H	5:3:3:1:	2:2:3:3:4:	4:	Si[4,4]-5:C[6a]-3:C[6a]-3:H-1:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:C-4:	C-4:	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H)	H(CSi[4,4]C[6a]2)	C(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2(H)	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(CC[6a]2H){1|C<3>,1|C<4>,2|N<3>}	H(CSi[4,4]C[6a]2)	99.1649	0.000	1	99.1649	0.000	1	99.1649	0.000	1	99.1649	0.000	1	99.1649	0.000	1	103.9708	13.412	5
490	722	951	0:SP3_SP-NON_SPD5	C	Si[4]	H	5:5:1:1:	3:3:4:1:1:	4:	Si[4]-5:Si[4]-5:H-1:H-1:	N[4]-3:N[4]-3:C-4:Cl-1:Cl-1:	C-4:	C(Si[4]N[4]2Cl2)2(H)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2	H(CSi[4]2H)	C(Si[4]N[4]2Cl2)2(H)2	Si[4](N[4]C[4]C)2(CSi[4]HH)(Cl)2{1|C<3>}	H(CSi[4]2H)	105.1723	2.874	4	105.1723	8.259	4	105.1723	8.259	4	105.1723	8.259	4	105.1723	8.259	4	103.9708	13.412	5
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	112.4668	3.109	4	112.2156	7.567	5	112.9927	10.259	7	112.7171	9.401	8	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	111.2110	0.000	1	112.2156	7.567	5	112.9927	10.259	7	112.7171	9.401	8	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	111.7170	0.000	1	114.9355	20.717	2	112.9927	10.259	7	112.7171	9.401	8	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	118.1540	0.000	1	114.9355	20.717	2	112.9927	10.259	7	112.7171	9.401	8	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	C(C[5a]N[5a]O[5a])2(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])2(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	112.7171	9.401	8	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CC[5a]HH){1|H<1>,2|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH){1|C<3>,1|N<2>}	117.9835	0.057	2	117.9835	0.003	2	117.9835	0.003	2	115.1930	13.398	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(CC[5a]HH){1|N<3>}	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	115.1930	13.398	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH){1|C<3>,1|H<1>}	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	115.1930	13.398	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6]-3:S[5a]-2:C-4:	C(C[5a]C[5a,6]S[5a])2(H)2	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a,6]S[5a])2(H)2	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH){1|Br<1>,1|C<4>,1|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]HH){1|Br<1>,1|C<4>,1|O<2>}	116.6060	0.000	1	116.6060	0.000	1	116.6060	0.000	1	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH){1|C<4>}	112.3435	0.721	2	112.3435	0.519	2	112.6607	0.561	3	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[5a]HH){1|C<4>}	113.2950	0.000	1	113.2950	0.000	1	112.6607	0.561	3	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	113.9750	0.000	1	113.9750	0.000	1	113.0157	1.771	8	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	112.9520	3.035	2	112.9520	9.211	2	113.0157	1.771	8	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	112.7523	0.332	3	112.8494	0.531	5	113.0157	1.771	8	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]HH){2|H<1>}	112.9950	1.353	2	112.8494	0.531	5	113.0157	1.771	8	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	114.0507	0.993	16	114.0507	0.985	16	113.6662	1.521	20	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|N<3>}	111.5170	0.000	1	111.5170	0.000	1	113.6662	1.521	20	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)2(H)2	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(CC[5a]HH)	112.3320	0.947	3	112.3320	0.897	3	113.6662	1.521	20	113.5012	1.826	32	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH){1|H<1>,1|N<2>}	129.1265	0.805	2	129.1265	0.649	2	129.1265	0.649	2	129.1265	0.649	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C-4:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6]N[5a,6])(C[5a]N[5a,6]C[5a])(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	114.4648	0.405	5	114.4648	0.164	5	114.5800	0.119	8	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	114.7460	0.000	1	114.7720	0.001	3	114.5800	0.119	8	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	114.7850	0.033	2	114.7720	0.001	3	114.5800	0.119	8	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH){2|C<3>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[5a]HH){1|C<4>}	116.5010	0.000	1	116.5010	0.000	1	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	111.5550	0.000	1	111.5550	0.000	1	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	114.8180	0.000	1	114.8180	0.000	1	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	115.5740	0.000	1	115.5740	0.000	1	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	114.5067	0.782	7	114.5067	0.611	7	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)2(CC[5a]HH)	C(C[5a]C[5a]2)2(H)2	C[5a](C[5a]N[5a]H)2(CC[5a]HH){1|H<1>}	C[5a](C[5a]N[5a]H)2(CC[5a]HH){1|H<1>}	113.6990	0.000	1	113.6990	0.000	1	114.4745	1.657	12	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	114.5960	1.125	3	114.8285	1.059	4	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){2|C<4>}	115.5260	0.000	1	114.8285	1.059	4	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	114.6126	0.830	7	114.6126	0.688	7	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	114.8215	0.211	2	114.8215	0.045	2	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	114.3720	0.000	1	114.6953	0.150	3	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){2|H<1>}	114.5900	0.000	1	114.6953	0.150	3	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){2|H<1>}	115.1240	0.000	1	114.6953	0.150	3	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH){2|H<1>}	115.9290	0.107	2	115.9290	0.012	2	114.8438	0.615	18	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH){1|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]C)(CC[5a]HH){1|C<4>}	109.8410	0.000	1	109.8410	0.000	1	118.1677	52.624	3	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	122.3310	1.117	2	122.3310	1.248	2	118.1677	52.624	3	114.8814	4.102	43	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:2:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(OC)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO){2|H<1>}	110.4460	2.097	2	110.4460	4.399	2	110.4460	4.399	2	110.4460	4.399	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO)	C(C[5a]C[5a]2)2(OH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO){1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[5a]HO){1|H<1>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	113.4325	9.737	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:2:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:O-2:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(OC)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO)	C(C[5a]C[5a]N[5a])2(OC)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO){1|C<3>,1|C<4>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	113.4325	9.737	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:2:2:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-2:O-2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])2(CC)(OH)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO)	C(C[5a]C[5a]S[5a])2(CC)(OH)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	110.4650	0.689	4	110.4650	0.475	4	110.4650	0.475	4	110.4650	0.475	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	112.2850	1.124	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	112.2850	1.124	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H){2|H<1>}	111.5010	0.068	2	111.5010	0.005	2	111.5010	0.005	2	112.2850	1.124	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	112.2850	1.124	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	112.2850	1.124	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-3:C-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCO)(C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCO)(C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6]C[5a])(CCH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH){1|H<1>,2|C<3>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CC[6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	114.5420	0.000	2	114.5420	0.000	2	114.5613	0.001	3	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	114.6000	0.000	1	114.6000	0.000	1	114.5613	0.001	3	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	C(C[5a]C[5a]2)2(CC[6a]O)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H){2|H<1>}	111.4910	0.023	4	111.4910	0.001	4	111.4910	0.001	4	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])3(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	111.7810	1.699	3	111.7810	2.888	3	111.7810	2.888	3	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]O[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H)	C(C[5a]C[5a]2)3(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H){1|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5a]2H){1|C<3>}	112.2090	0.168	3	112.2090	0.028	3	112.5673	0.532	4	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	113.6420	0.000	1	113.6420	0.000	1	112.5673	0.532	4	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H){2|H<1>}	112.0990	0.000	2	112.0990	0.000	2	112.0990	0.000	2	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	C(C[5a]C[5a]N[5a])2(C[5a]C[5a]O[5a])(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	114.0590	0.000	1	114.0590	0.000	1	113.1112	1.957	4	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	112.7953	1.529	3	112.7953	2.337	3	113.1112	1.957	4	112.5561	1.943	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:C[5a]-3:O[5a]-2:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.0965	0.548	2	112.0965	0.300	2	112.0965	0.300	2	112.0965	0.300	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:2:	3:4:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6]-3:C-4:S[5a]-2:	C[5a,6]-3:C-4:S[5a]-2:	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a])	C(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(CC[5a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|I<1>,1|O<2>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	113.8725	7.020	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:2:	3:4:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	113.8725	7.020	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	C[5a]-3:C-4:S[5a]-2:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6]H)(S[5a]C[5a])	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C-4:C[5a]-3:	C[5a,5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	112.3770	0.000	1	112.9553	0.587	13	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	110.8660	0.000	1	112.9553	0.587	13	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	113.1978	0.413	11	112.9553	0.587	13	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	113.2465	1.276	2	112.4233	1.171	12	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.2220	0.000	1	112.4233	1.171	12	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	112.3739	1.026	9	112.4233	1.171	12	112.7000	0.904	25	112.6233	1.021	26	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]O[5a]){1|H<1>}	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	109.5090	1.971	2	109.5090	3.886	2	109.5090	3.886	2	109.5090	3.886	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	111.3983	1.241	3	111.3983	1.539	3	111.3983	1.539	3	111.3983	1.539	3	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	116.7805	2.708	2	116.7805	7.331	2	115.2412	5.749	4	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	113.7020	0.662	2	113.7020	0.438	2	115.2412	5.749	4	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	112.8690	0.000	1	112.8690	0.000	1	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	110.2968	0.202	5	110.5892	0.546	6	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	112.0510	0.000	1	110.5892	0.546	6	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	110.3663	0.840	4	111.7746	1.890	16	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.2441	1.193	12	111.7746	1.890	16	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	112.8754	1.550	5	112.8084	1.902	7	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.6410	1.312	2	112.8084	1.902	7	111.8152	2.053	30	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.1395	1.855	4	113.1395	3.440	4	111.8109	7.079	8	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Mn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	112.9875	0.042	2	112.9875	0.002	2	111.8109	7.079	8	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(H)	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](CC[5a]C[6a]H)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	107.9770	0.047	2	107.9770	0.002	2	111.8109	7.079	8	112.1407	4.118	42	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	N[5a]-2:S[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]N[5a]S[5a])2(C[6a]C[6a]2)(OC)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O)	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	110.6677	0.796	3	110.6677	0.633	3	110.6677	0.633	3	110.6677	0.633	3	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C-4:C[5a]-3:S[5a]-2:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)(OH)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.7650	1.152	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C-4:N[5a]-3:N[5a]-2:	C-4:N[5a]-3:N[5a]-2:	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	C(C[5a]N[5a]2)2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	110.7650	1.152	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	4:3:2:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C-4:C[5a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	108.9670	0.935	2	108.9670	0.874	2	108.9670	0.874	2	108.9670	0.874	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:O-2:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(OC)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.9403	0.595	3	109.9352	2.951	5	109.9352	2.951	5	109.9352	2.951	5	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)2	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	109.9275	3.331	2	109.9352	2.951	5	109.9352	2.951	5	109.9352	2.951	5	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C(C[5a]C[5a]S[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<4>,1|H<1>}	109.2923	2.269	3	109.2923	5.150	3	109.4963	1.601	9	109.4963	1.601	9	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])3(CH3)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C)	C(C[5a]C[5a]S[5a])3(CH3)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]2C){1|C<3>,1|H<1>}	109.5983	0.682	6	109.5983	0.465	6	109.4963	1.601	9	109.4963	1.601	9	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C){2|Br<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	110.2270	0.564	12	110.2270	0.318	12	110.2205	0.320	24	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	110.0090	0.788	4	110.0090	0.621	4	110.2205	0.320	24	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	110.3166	0.500	8	110.3166	0.250	8	110.2205	0.320	24	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	108.5800	0.064	2	108.5800	0.004	2	107.8220	0.770	4	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	107.0640	0.095	2	107.0640	0.009	2	107.8220	0.770	4	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	110.6014	2.256	7	110.6014	5.091	7	111.0226	5.783	8	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])3(CH3)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	113.9710	0.000	1	113.9710	0.000	1	111.0226	5.783	8	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:N-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(NC[6a]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN){2|C<3>}	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	110.1704	2.221	37	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	N[5a]-3:C-4:C[5a]-3:	N[5a]-3:C-4:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	110.4610	0.023	2	110.4610	0.001	2	110.4610	0.001	2	111.0418	0.611	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	110.8980	0.000	1	110.8980	0.000	1	111.3323	0.681	4	111.0418	0.611	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	110.4970	0.000	1	111.4770	0.896	3	111.3323	0.681	4	111.0418	0.611	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	111.9670	0.593	2	111.4770	0.896	3	111.3323	0.681	4	111.0418	0.611	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	109.8855	0.795	2	109.8855	0.633	2	109.8855	0.633	2	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	111.0325	0.911	2	111.0325	0.831	2	111.0325	0.831	2	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	104.2100	0.000	1	104.2100	0.000	1	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	109.2524	1.041	5	109.2524	1.084	5	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	108.3320	1.291	5	110.4125	2.428	71	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	110.6888	1.493	59	110.4125	2.428	71	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	109.5696	0.698	7	110.4125	2.428	71	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	108.9920	0.000	1	108.9920	0.000	1	110.2404	2.847	78	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.5245	0.264	2	109.5245	0.070	2	109.5245	0.070	2	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|H<1>}	114.7330	0.000	1	114.7330	0.000	1	114.8317	3.644	3	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	112.9740	0.000	1	112.9740	0.000	1	114.8317	3.644	3	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:N[5a]-3:C[5a]-3:	C-4:N[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a]C)(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7880	0.000	1	116.7880	0.000	1	114.8317	3.644	3	110.3923	3.393	87	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6]-3:S[5a]-2:C-4:	C[5a,6]-3:S[5a]-2:C-4:	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH)	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH){1|C<4>,1|I<1>,1|O<2>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC[5a]CH){1|C<4>,1|I<1>,1|O<2>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(CCCH)(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH)	C(C[5a]N[5a]2)2(CCCH)(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH){2|H<1>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH){2|H<1>}	108.2380	0.000	1	108.2380	0.000	1	110.5550	10.737	2	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(CCHH)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	C(C[5a]N[5a]2)2(CCHH)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	112.8720	0.000	1	112.8720	0.000	1	110.5550	10.737	2	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N-4:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(NH3)(H)	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	C(C[5a]N[5a]2)2(NH3)(H)	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	C[5a](N[5a]N[5a]Pd)(N[5a]N[5a])(CC[5a]HN)	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	110.4042	5.003	6	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH){2|C<3>}	114.6865	0.390	2	114.6865	0.152	2	113.7770	2.557	3	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	111.9580	0.000	1	111.9580	0.000	1	113.7770	2.557	3	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	112.5650	0.000	1	112.5650	0.000	1	112.7360	0.058	2	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH){1|C<3>,1|C<4>}	112.9070	0.000	1	112.9070	0.000	1	112.7360	0.058	2	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	112.8490	3.224	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[4]-4:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C-4:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	C(C[5a]C[5a,6a]C[5a])2(C[4]C[4]N[4]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-4:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	109.0930	0.000	1	111.0377	3.067	3	111.0377	3.067	3	111.0377	3.067	3	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-4:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Co)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	112.0100	0.679	2	111.0377	3.067	3	111.0377	3.067	3	111.0377	3.067	3	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:2:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:O-2:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	110.5790	0.000	2	110.5790	0.000	2	110.5790	0.000	2	110.5790	0.000	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:2:	3:3:4:	2:2:4:	C[5a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(CF3)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:2:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	111.2131	1.675	7	111.2131	2.806	7	111.2131	2.806	7	111.2131	2.806	7	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:N-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN)	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN){2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CN){2|H<1>}	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	111.2487	1.824	3	111.1740	2.240	4	111.1740	2.240	4	111.1740	2.240	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	110.9500	0.000	1	111.1740	2.240	4	111.1740	2.240	4	111.1740	2.240	4	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	C(C[5a]N[5a]S[5a])2(CH3)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC)	C(C[5a]N[5a]S[5a])2(CH3)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	106.1545	0.059	2	106.1545	0.003	2	106.1545	0.003	2	106.1545	0.003	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	109.5910	0.000	1	109.5910	0.000	1	109.7836	1.151	14	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	109.7974	0.756	8	109.7974	0.572	8	109.7836	1.151	14	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	110.5190	0.437	4	109.8000	2.728	5	109.7836	1.151	14	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]O[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|Se<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|Se<3>,1|H<1>}	106.9240	0.000	1	109.8000	2.728	5	109.7836	1.151	14	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){2|H<1>}	108.1835	0.081	2	108.3033	0.497	15	108.3033	0.497	15	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]S[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	108.3217	0.760	13	108.3033	0.497	15	108.3033	0.497	15	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)2(CCHH)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]N[5a]2)2(CCHH)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	109.1020	1.515	30	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5,5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C[5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5a])(CC[5a]CC){2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	108.4130	0.535	2	108.4130	0.286	2	108.4130	0.286	2	108.4130	0.286	2	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	108.5965	1.986	2	109.4620	1.242	6	109.4620	1.242	6	108.9821	0.935	31	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	109.8948	0.079	4	109.4620	1.242	6	109.4620	1.242	6	108.9821	0.935	31	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:2:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	108.8670	0.916	25	108.8670	0.838	25	108.8670	0.838	25	108.9821	0.935	31	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:N[5a]-3:C-4:	C(C[5a]C[5,5a]N[5a])2(CH3)2	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5,5a]N[5a])2(CH3)2	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>,1|S<2>}	109.7995	0.328	4	109.7995	0.107	4	109.7995	0.107	4	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	110.6460	0.000	1	110.7393	0.034	3	110.7393	0.034	3	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	110.7860	0.233	2	110.7393	0.034	3	110.7393	0.034	3	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Co<6>,1|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Co<6>,1|C<3>}	108.5390	2.012	2	108.4120	3.512	4	109.1268	5.189	5	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Fe<6>,1|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|Fe<6>,1|C<3>}	108.2850	2.534	2	108.4120	3.512	4	109.1268	5.189	5	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	C(C[5a]C[5a]2)2(CH3)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	111.9860	0.000	1	111.9860	0.000	1	109.1268	5.189	5	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	111.4380	0.000	2	111.4380	0.000	2	111.4380	0.000	2	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	111.5480	1.250	26	111.4994	1.566	27	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	110.2370	0.000	1	111.4994	1.566	27	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	110.0137	0.558	3	110.1951	2.245	23	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	109.8803	2.105	10	110.1951	2.245	23	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|H<1>,1|N<2>}	110.5644	0.847	10	110.1951	2.245	23	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	107.4800	0.000	1	107.4800	0.000	1	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	107.1680	0.000	1	110.7320	2.624	172	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	109.7621	1.233	16	110.7320	2.624	172	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	108.1630	3.020	7	110.7320	2.624	172	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	110.9797	1.409	146	110.7320	2.624	172	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	111.1880	0.351	2	110.7320	2.624	172	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	109.6580	0.000	1	109.6580	0.000	1	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	109.8290	0.484	2	109.8290	0.234	2	110.7419	2.556	226	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a,6]-3:C[5a]-3:C-4:	N[5a,6]-3:C[5a]-3:C-4:	C(C[5a]N[5a,6]C[5a])2(CH3)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]N[5a,6]C[5a])2(CH3)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	113.3908	0.386	5	113.3908	0.149	5	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	107.4020	2.431	2	107.4020	5.910	2	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	113.2915	1.250	11	113.2915	1.563	11	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CCHH)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	110.4395	3.417	2	110.4395	11.679	2	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	110.5528	0.642	10	110.5528	0.412	10	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	112.7510	0.000	1	112.7510	0.000	1	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	112.9060	2.519	3	112.9060	6.346	3	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	113.8252	1.618	5	113.8252	2.616	5	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	111.3417	1.805	3	111.3417	3.260	3	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	109.8780	0.000	1	109.8780	0.000	1	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	113.8560	1.991	2	113.8560	3.965	2	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])2(CH3)2	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	111.0765	0.829	2	111.0765	0.688	2	112.1007	4.382	47	110.9414	3.160	288	111.2722	5.778	752	111.2722	5.778	752
490	727	727	0:SP3_SP2_SP2	C	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-4:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	110.6455	0.706	2	110.6455	0.499	2	110.6455	0.499	2	110.6455	0.499	2	111.2722	5.778	752	111.2722	5.778	752
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CC[6]HH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(CC[6]HH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH){1|C<3>,2|H<1>}	113.8070	0.000	1	113.8070	0.000	1	113.8070	0.000	1	113.8070	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:1:1:	3:2:4:	4:3:4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[6]-4:C[6]-3:C-4:	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	110.9380	22.204	2	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH)	C[6](C[6]O[6]O)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6]HH){1|C<4>}	C[6](C[6]O[6]O)2(CC[5a]HH){1|C<4>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	110.9380	22.204	2	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:3:1:	3:4:2:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	C[5a]-3:C-4:S[5a]-2:	N[6]-3:C[6]-3:C-4:	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6]H)(S[5a]C[5a])	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H)	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H){1|H<1>,2|C<3>}	112.6120	0.000	1	112.6120	0.000	1	112.6120	0.000	1	112.6120	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:C[6]-3:C[6]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:3:1:	4:3:2:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	C-4:C[5a]-3:S[5a]-2:	N[6]-3:C[6]-3:C-4:	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H)	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[5a](CC[5a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H){1|H<1>,2|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:3:4:	3:4:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	N[5a]-3:C-4:C[5a]-3:	N[6]-3:C[6]-3:C-4:	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C){1|C<3>,1|C<4>,1|H<1>}	109.6637	0.547	3	109.6637	0.299	3	109.6637	0.299	3	109.6637	0.299	3	111.4302	6.450	13	111.4302	6.450	13
490	727	762	0:SP3_SP2_SP2	C	C[5a]	C[6]	3:3:4:4:	3:3:4:	4:3:4:	C[5a]-3:C[6]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[6]CC)	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]V)(CC[6]CC){2|H<1>}	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	109.2890	0.429	2	109.2890	0.184	2	109.2890	0.184	2	109.2890	0.184	2	111.4302	6.450	13	111.4302	6.450	13
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	2:2:4:	4:	C[5a]-3:Cl-1:Cl-1:Cl-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)3	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3)	Cl(CC[5a]Cl2)	C(C[5a]N[5a]S[5a])(Cl)3	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3){1|C<3>,1|N<2>}	Cl(CC[5a]Cl2)	109.8190	1.746	3	109.8190	3.050	3	109.8190	3.050	3	110.5237	2.104	15	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	2:2:4:	4:	C[5a]-3:Cl-1:Cl-1:H-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)2(H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H)	Cl(CC[5a]ClH)	C(C[5a]N[5a]S[5a])(Cl)2(H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H){1|C<3>,1|N<2>}	Cl(CC[5a]ClH)	110.4005	2.391	2	110.4005	5.716	2	110.4005	5.716	2	110.5237	2.104	15	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	2:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(Cl)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	Cl(CC[5a]HH)	109.9660	0.006	2	109.9660	0.000	2	111.0176	1.787	8	110.5237	2.104	15	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	2:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(Cl)(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a]O[5a])(Cl)(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	Cl(CC[5a]HH)	111.3682	1.383	6	111.3682	1.911	6	111.0176	1.787	8	110.5237	2.104	15	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	2:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(Cl)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a]S[5a])(Cl)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH){2|C<3>}	Cl(CC[5a]HH)	109.7280	0.624	2	109.7280	0.389	2	109.7280	0.389	2	110.5237	2.104	15	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|C<4>,1|H<1>,2|C<3>}	Cl(CC[5a]HH)	110.5850	0.897	2	110.5850	0.804	2	110.4177	0.486	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(Cl)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(CClHH){1|H<1>,2|C<3>}	Cl(CC[5a]HH)	110.0830	0.000	1	110.0830	0.000	1	110.4177	0.486	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CClHH){1|C<3>}	Cl(CC[5a]HH)	109.6760	0.000	1	109.6760	0.000	1	110.2127	0.345	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH){1|N<3>}	Cl(CC[5a]HH)	110.4810	0.508	2	110.4810	0.258	2	110.2127	0.345	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]O[5a])(Cl)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH){1|C<3>}	Cl(CC[5a]HH)	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(C[5a]C[5a]S[5a])(Cl)(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]S[5a])(Cl)(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CClHH){1|Cl<1>}	Cl(CC[5a]HH)	111.9940	0.000	1	111.9940	0.000	1	111.9940	0.000	1	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a,6a]N[5a])(Cl)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CClHH){2|C<3>}	Cl(CC[5a]HH)	111.4905	0.459	2	111.4905	0.211	2	111.4905	0.211	2	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(Cl)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a]2)(Cl)(H)2	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	Cl(CC[5a]HH)	111.0240	0.000	1	111.0240	0.000	1	110.9357	0.592	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:2:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(Cl)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	Cl(CC[5a]HH)	C(C[5a]N[5a]2)(Cl)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	Cl(CC[5a]HH)	110.8915	1.083	2	110.8915	1.172	2	110.9357	0.592	3	110.8075	0.580	13	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:3:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CClHH){1|C<4>}	Cl(CC[5a]HH)	110.3770	0.000	1	110.3770	0.000	1	111.1055	1.061	2	111.7885	1.335	4	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:3:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]2)(Cl)(H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])(CClHH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	Cl(CC[5a]HH)	111.8340	0.000	1	111.8340	0.000	1	111.1055	1.061	2	111.7885	1.335	4	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:3:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH){2|C<3>}	Cl(CC[5a]HH)	113.2060	0.000	1	113.2060	0.000	1	112.4715	1.079	2	111.7885	1.335	4	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:1:1:1:	3:3:4:	4:	C[5a]-3:Cl-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	Cl(CC[5a]HH)	C(C[5a]C[5a]N[5a])(Cl)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH){1|C<4>}	Cl(CC[5a]HH)	111.7370	0.000	1	111.7370	0.000	1	112.4715	1.079	2	111.7885	1.335	4	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:3:3:1:	2:2:4:	4:	C[5a]-3:N-3:N-3:Cl-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(NOO)2(Cl)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN)	Cl(CC[5a]NN)	C(C[5a]N[5a]2)(NOO)2(Cl)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN){1|C<4>}	Cl(CC[5a]NN)	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	110.9692	1.866	34	110.9692	1.866	34
490	727	790	0:SP3_SP-NON_SP2	C	C[5a]	Cl	3:3:3:1:	3:2:4:	4:	C[5a]-3:N-3:N-3:Cl-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(NOO)2(Cl)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	Cl(CC[5a]NN)	C(C[5a]N[5a]2)(NOO)2(Cl)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	Cl(CC[5a]NN)	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	113.7370	0.000	1	110.9692	1.866	34	110.9692	1.866	34
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	2:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	112.7128	3.895	6	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	112.3040	0.834	2	112.3040	0.696	2	112.3040	0.696	2	112.7128	3.895	6	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	114.9465	0.824	2	114.9465	0.679	2	114.9465	0.679	2	112.7128	3.895	6	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:O[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]N[5a]O[5a])(H)2	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	112.7128	3.895	6	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	2:2:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-2:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]S[5a])(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(CN[5a]HH){1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](N[5a]C[5a,6a])2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]N[5a]2)(H)2	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	N[5a](N[5a]C[5a,6a])2(CC[5a]HH){2|C<3>}	111.5240	0.692	2	111.5240	0.478	2	111.5240	0.478	2	111.9285	0.378	4	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	112.3330	0.000	2	112.3330	0.000	2	112.3330	0.000	2	111.9285	0.378	4	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	112.4195	1.028	4	112.4195	1.057	4	112.1903	0.630	9	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	112.0070	0.611	5	112.0070	0.373	5	112.1903	0.630	9	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH){1|Cl<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	112.1190	0.759	3	112.1190	0.576	3	112.1190	0.576	3	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]N[5a,6]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CN[5a]HH){1|C<3>,1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(H)2	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5a]HH){1|Cl<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	112.4940	0.000	1	112.4940	0.000	1	111.8838	1.634	4	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	112.0130	0.000	1	112.0130	0.000	1	111.8838	1.634	4	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CN[5a]HH){1|S<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	112.9700	0.000	1	112.9700	0.000	1	111.8838	1.634	4	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]N[5a]2)(H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	110.0580	0.000	1	110.0580	0.000	1	111.8838	1.634	4	112.0671	0.754	19	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	113.0650	0.000	1	113.0650	0.000	1	113.2360	0.058	2	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	113.4070	0.000	1	113.4070	0.000	1	113.2360	0.058	2	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]N[5a]2)(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH){2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	112.2952	0.679	4	112.2952	0.461	4	112.2952	0.461	4	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	112.6580	0.000	1	112.6580	0.000	1	112.2480	0.504	3	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	111.4280	0.000	1	111.4280	0.000	1	112.2480	0.504	3	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	112.6580	0.000	1	112.6580	0.000	1	112.2480	0.504	3	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:2:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(H)2	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	112.3003	0.572	11	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	111.3780	0.570	2	111.3780	0.325	2	111.3780	0.325	2	112.3842	1.012	5	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH){1|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	112.3842	1.012	5	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5a]HH){1|Pd<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	113.2835	0.190	2	113.2835	0.036	2	113.2835	0.036	2	112.3842	1.012	5	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	113.7580	0.000	1	112.8550	0.646	3	112.8550	0.646	3	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	112.4035	0.261	2	112.8550	0.646	3	112.8550	0.646	3	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH){4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	114.7840	0.000	1	114.7840	0.000	1	112.3625	11.727	2	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]2)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	109.9410	0.000	1	109.9410	0.000	1	112.3625	11.727	2	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH){1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	113.3870	0.000	1	113.3870	0.000	1	112.2202	1.025	4	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	112.6780	0.000	1	112.6780	0.000	1	112.2202	1.025	4	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	111.4080	0.430	2	111.4080	0.185	2	112.2202	1.025	4	112.4634	2.101	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	110.1110	1.916	2	110.1110	3.672	2	110.1110	3.672	2	110.1110	3.672	2	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:1:	3:2:4:	3:4:2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	114.4095	2.662	2	114.4095	7.088	2	114.4095	7.088	2	114.4095	7.088	2	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:1:	3:2:4:	4:3:2:	N[5a]-3:N[5a]-3:C[5a]-3:H-1:	N[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H){2|C<3>}	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	112.4985	2.849	2	112.4985	8.116	2	112.4985	8.116	2	112.4985	8.116	2	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:H-1:	C[5a]-3:C-4:C[5a]-3:	C-4:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	112.6950	0.000	1	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:1:	4:3:2:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	110.8590	0.888	2	110.8590	0.789	2	110.8590	0.789	2	110.8590	0.789	2	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:3:4:	4:3:2:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	C[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:4:1:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	110.7540	0.110	2	110.7540	0.012	2	110.7540	0.012	2	110.7540	0.012	2	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:4:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	107.5022	0.507	5	107.5022	0.257	5	107.5022	0.257	5	108.1599	0.905	9	111.6676	3.365	77	111.6676	3.365	77
490	727	813	0:SP3_SP2_SP2	C	C[5a]	N[5a]	3:3:4:4:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:S[5a]-2:C-4:	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	108.9820	0.669	4	108.9820	0.448	4	108.9820	0.448	4	108.1599	0.905	9	111.6676	3.365	77	111.6676	3.365	77
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:2:4:	2:2:4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5]-2:N[5]-2:C-4:	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH)	C[5](N[5]C[5,6a])2(CC[5a]HH)	C(C[5a]N[5a]2)(C[5]N[5]2)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH){2|C<3>}	C[5](N[5]C[5,6a])2(CC[5a]HH){2|C<3>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:2:4:	3:3:4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5,6]-3:N[5]-3:C-4:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH)	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6]N[5])(H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH){1|H<1>,3|C<3>}	114.7350	0.000	1	114.7350	0.000	1	114.7350	0.000	1	114.7350	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:O[5]-2:C-4:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH)	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH)	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,5]Rh)(O[5]C[5,5])(CC[5a]HH){1|C<3>,1|C<4>,2|H<1>}	112.8250	1.472	2	112.8250	2.167	2	112.8250	2.167	2	112.8250	2.167	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH){2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	114.1399	1.745	9	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	114.2526	1.301	7	114.0261	1.861	8	114.0261	1.861	8	114.1399	1.745	9	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5]-3:C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(CC[5]HH)	C[5](C[5]N[5]C)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	112.4410	0.000	1	114.0261	1.861	8	114.0261	1.861	8	114.1399	1.745	9	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5])	C(C[5a]C[5a]2)(C[5]N[5]2)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[5]HH){1|H<1>}	C[5](N[5]C[6a]C[5])(CC[5a]HH)(N[5]N[5]){1|H<1>,1|S<1>,2|C<3>}	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	113.2754	9.238	7	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]HH)	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]Ni)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	109.3970	0.307	2	109.3970	0.094	2	113.4115	10.930	6	113.2754	9.238	7	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH)	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]Rh)(CC[5a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	115.4188	1.439	4	115.4188	2.070	4	113.4115	10.930	6	113.2754	9.238	7	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[5]HH){1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	115.5050	0.000	1	115.5050	0.000	1	115.5050	0.000	1	115.4463	0.003	3	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:1:1:	3:3:4:	4:3:4:	C[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(CC[5]HH){1|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	115.4170	0.008	2	115.4170	0.000	2	115.4170	0.000	2	115.4463	0.003	3	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	3:3:4:	4:3:4:	C[5a]-3:C[5]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	3:4:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a]-3:C-4:N[5a]-3:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H){4|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	114.0700	2.376	2	114.0700	5.645	2	114.0700	5.645	2	114.0700	5.645	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:4:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C-4:C[5]-4:N[5]-2:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	3:4:3:	4:4:3:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	N[5a]-3:C-4:C[5a]-3:	C-4:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H)	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a]Mn)(CC[6a]C[5]H)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]MnH)(N[5]C[5]Mn){1|C<3>,1|H<1>}	114.9675	0.047	2	114.9675	0.002	2	114.9675	0.002	2	114.9675	0.002	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	4:3:2:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[5a]-3:O[5a]-2:	C-4:C[5]-3:C[5]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	111.2365	0.564	4	111.2365	0.318	4	111.2365	0.318	4	111.0737	0.255	6	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	4:3:2:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:H-1:	C-4:C[5a]-3:S[5a]-2:	C-4:C[5]-3:C[5]-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]C)(C[5]C[5]H){1|C<3>,1|C<4>}	110.7480	0.041	2	110.7480	0.002	2	110.7480	0.002	2	111.0737	0.255	6	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5]-3:Se[5]-2:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]2)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,1|H<1>}	112.4395	0.121	2	112.4395	0.015	2	112.4395	0.015	2	112.4395	0.015	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:2:	3:2:4:	4:3:3:	C[5a]-3:C[5]-3:C[5]-3:O-2:	N[5a]-3:N[5a]-2:C-4:	C-4:N[5]-3:N[5]-3:	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C)	C(C[5a]N[5a]2)(C[5]N[5]2)2(OC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	C[5](CC[5a]C[5]O)(N[5]C[5]Fe)(N[5]C[5]C){2|H<1>}	109.3615	1.357	2	109.3615	1.841	2	109.3615	1.841	2	109.3615	1.841	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:S[5a]-2:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	101.1930	0.000	1	101.1930	0.000	1	101.1930	0.000	1	101.1930	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C-4:N[5a]-3:N[5a]-2:	C-4:C[5]-3:C[5]-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2	C(C[5a]N[5a]2)(C[6a]C[6a]2)2(C[5]C[5]2)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)2{3|H<1>}	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:4:	3:3:4:	4:3:2:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C)	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C){1|C<4>,1|H<1>}	C[5](CC[5a]C[5]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	110.5570	1.198	2	110.5570	1.435	2	110.5570	1.435	2	110.5570	1.435	2	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:4:	4:3:3:	3:4:2:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5])	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(CC[5a]2C)(N[5]C[5]){1|C<4>,1|H<1>}	110.7812	0.358	4	110.7812	0.128	4	110.7812	0.128	4	110.7812	0.128	4	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:3:4:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C-4:C[5a]-3:N[5a]-3:	C-4:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5](CC[5a]C[6a]C)(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-3:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	106.7575	1.924	2	106.7575	3.702	2	106.7575	3.702	2	108.4778	3.728	5	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:3:4:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC){1|C<4>,2|H<1>}	109.6247	0.820	3	109.6247	0.673	3	109.6247	0.673	3	108.4778	3.728	5	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	110.7320	0.064	2	110.7320	0.004	2	111.3833	3.171	11	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	113.1385	2.116	2	111.5280	3.833	9	111.3833	3.171	11	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<3>,1|H<1>}	108.6600	0.840	2	111.5280	3.833	9	111.3833	3.171	11	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(CC[5a]CC)(N[5]C[5]){1|C<4>,1|H<1>}	112.0310	0.803	5	111.5280	3.833	9	111.3833	3.171	11	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5]-3:C-4:C[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](N[5]C[5]H)(CC[5a]CC)(C[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]H)(CC[5a]CC)(C[5]C[5]){1|C<4>,1|H<1>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5]CC)	C[5](N[5]C[5]Cr)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Cr)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]Cr)(CC[5a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	109.7025	1.989	4	109.7025	3.957	4	108.4580	4.835	30	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC)	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5]){1|C<3>,3|H<1>}	110.5702	1.266	6	108.2666	4.848	26	108.4580	4.835	30	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:2:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	N[5]-3:C-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC)	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](N[5]C[5]Ni)(CC[5a]CC)(O[5]C[5]){1|C<4>,3|H<1>}	107.5755	1.944	20	108.2666	4.848	26	108.4580	4.835	30	109.3759	6.617	42	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Au)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	110.7290	0.000	1	110.7290	0.000	1	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	107.4780	0.806	4	109.1107	3.433	8	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	110.7435	0.501	4	109.1107	3.433	8	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pt)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	107.1887	0.634	10	107.1887	0.401	10	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	107.0930	1.318	2	108.1852	2.213	4	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]S)(CC[5a]CC){2|C<4>,2|H<1>,4|C<3>}	109.2775	0.359	2	108.1852	2.213	4	108.1845	2.615	23	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	110.2843	2.171	4	110.2843	4.714	4	110.6339	4.112	7	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	818	0:SP3_SP2_SP2	C	C[5a]	C[5]	3:3:4:4:	3:3:4:	3:4:4:	C[5a]-3:C[5]-3:C-4:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5,5]-3:P[5]-4:C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Rh)(CC[5a]CC){2|C<3>,2|H<1>,3|C<4>}	111.1000	2.167	3	111.1000	4.695	3	110.6339	4.112	7	108.7560	3.945	30	110.4432	9.425	126	110.4432	9.425	126
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	F(CC[5a]FF)	111.5563	0.979	6	111.5563	0.958	6	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	F(CC[5a]FF)	111.8360	0.735	3	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	F(CC[5a]FF)	114.1836	2.331	11	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	F(CC[5a]FF)	111.8468	1.003	6	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	F(CC[5a]FF)	114.7443	2.067	3	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	F(CC[5a]FF)	112.2758	0.472	12	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<3>,1|C<3>}	F(CC[5a]FF)	112.2190	0.935	5	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	F(CC[5a]FF)	111.9309	0.447	12	112.6619	2.566	52	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]N[5a])2(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]N[5a])2(CF3){1|Cr<8>}	F(CC[5a]FF)	112.0693	0.199	3	115.1612	19.624	9	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]N[5a])2(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]N[5a])2(CF3){1|W<6>}	F(CC[5a]FF)	116.7072	4.773	6	115.1612	19.624	9	112.8986	5.340	67	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	111.3837	0.093	3	112.2032	0.856	6	111.8202	0.800	15	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	F(CC[5a]FF)	113.0227	0.343	3	112.2032	0.856	6	111.8202	0.800	15	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]O[5a])(F)3	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	F(CC[5a]FF)	111.5649	0.826	9	111.5649	0.682	9	111.8202	0.800	15	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(F)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]S[5a])(F)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	111.7060	0.953	3	111.7060	0.909	3	111.7422	0.497	6	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(F)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]S[5a])(F)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(CF3){1|N<3>}	F(CC[5a]FF)	111.7783	0.575	3	111.7783	0.331	3	111.7422	0.497	6	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	2:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	N[5a]-2:O[5a]-2:C-4:	C-4:	C(C[5a]N[5a]O[5a])(F)2(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]N[5a]O[5a])(F)2(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	F(CC[5a]FH)	109.0775	0.699	2	109.0775	0.489	2	109.0775	0.489	2	112.5569	4.615	90	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6]N[5a])(F)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6]N[5a])(F)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,3|H<1>}	F(CC[5a]FF)	112.4020	0.640	3	112.4020	0.410	3	112.4020	0.410	3	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|B<4>,1|F<1>,2|C<3>}	F(CC[5a]FF)	111.8966	1.170	17	112.0544	0.921	31	112.0544	0.921	31	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(CC[5a]FF)	112.3500	0.638	5	112.0544	0.921	31	112.0544	0.921	31	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|F<1>,1|H<1>,2|C<3>}	F(CC[5a]FF)	111.7250	0.364	3	112.0544	0.921	31	112.0544	0.921	31	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	F(CC[5a]FF)	112.4200	0.610	6	112.0544	0.921	31	112.0544	0.921	31	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3){1|B<4>,1|C<3>}	F(CC[5a]FF)	112.3867	1.200	6	112.3867	1.439	6	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.6490	0.491	3	112.6490	0.241	3	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	F(CC[5a]FF)	112.3820	0.574	6	112.3820	0.329	6	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3){1|N<3>,3|C<3>}	F(CC[5a]FF)	112.1893	1.495	3	112.1893	2.235	3	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	F(CC[5a]FF)	112.6254	0.950	15	112.6254	0.903	15	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	F(CC[5a]FF)	112.0737	0.662	9	112.0737	0.439	9	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	112.8479	0.848	9	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	F(CC[5a]FF)	112.3617	0.818	3	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|O<2>}	F(CC[5a]FF)	112.1314	0.645	9	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|S<2>}	F(CC[5a]FF)	112.1832	0.771	6	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<3>}	F(CC[5a]FF)	111.9593	1.366	3	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<4>}	F(CC[5a]FF)	112.4820	0.977	5	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|C<3>}	F(CC[5a]FF)	112.1293	0.304	3	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|H<1>}	F(CC[5a]FF)	112.0360	0.756	17	112.2597	0.649	55	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CF3){1|C<3>}	F(CC[5a]FF)	112.4150	0.198	3	112.4150	0.039	3	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){1|C<4>,1|N<3>,2|C<3>}	F(CC[5a]FF)	112.6610	0.508	3	112.5585	0.195	6	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){4|C<3>}	F(CC[5a]FF)	112.4560	0.446	3	112.5585	0.195	6	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<3>,1|C<3>}	F(CC[5a]FF)	112.5197	0.647	3	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	F(CC[5a]FF)	111.9769	0.473	8	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|H<1>}	F(CC[5a]FF)	112.2590	0.480	5	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.0963	0.604	3	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	112.4063	0.608	15	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|O<2>}	F(CC[5a]FF)	112.0242	0.770	6	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	F(CC[5a]FF)	111.9834	0.902	5	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<3>,1|C<3>}	F(CC[5a]FF)	113.2400	0.991	3	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	F(CC[5a]FF)	113.6397	0.894	6	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	F(CC[5a]FF)	113.3788	1.162	18	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	F(CC[5a]FF)	112.7275	0.846	24	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pd<4>,1|C<3>}	F(CC[5a]FF)	112.7854	0.853	9	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	F(CC[5a]FF)	112.8601	1.127	45	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Pt<4>,1|C<4>}	F(CC[5a]FF)	113.5057	2.120	3	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|Ru<9>,1|C<4>}	F(CC[5a]FF)	113.1685	0.512	6	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	F(CC[5a]FF)	113.0102	2.350	63	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<4>}	F(CC[5a]FF)	112.4045	1.425	6	112.8260	2.292	228	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	112.9507	1.440	8	112.9507	2.072	8	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|C<3>}	F(CC[5a]FF)	112.3237	0.374	3	112.2719	0.489	24	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|H<1>}	F(CC[5a]FF)	112.0923	0.827	12	112.2719	0.489	24	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mn<6>}	F(CC[5a]FF)	112.4268	0.531	6	112.2719	0.489	24	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|Mo<8>}	F(CC[5a]FF)	112.6283	0.745	3	112.2719	0.489	24	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<3>}	F(CC[5a]FF)	113.5745	0.792	8	112.7719	1.211	20	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<4>}	F(CC[5a]FF)	112.2369	0.955	12	112.7719	1.211	20	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	F(CC[5a]FF)	112.2547	1.322	6	112.2547	1.749	6	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	F(CC[5a]FF)	111.7538	0.763	9	111.8763	0.548	12	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<4>}	F(CC[5a]FF)	112.2437	0.647	3	111.8763	0.548	12	112.6287	1.693	404	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3){2|C<3>}	F(CC[5a]FF)	111.5597	0.152	3	111.5597	0.023	3	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){1|C<3>,1|N<3>}	F(CC[5a]FF)	112.7573	1.371	6	112.7875	1.799	12	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){2|C<3>}	F(CC[5a]FF)	112.8177	1.441	6	112.7875	1.799	12	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3){1|C<4>}	F(CC[5a]FF)	113.3110	0.772	6	113.3110	0.597	6	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3){3|C<3>}	F(CC[5a]FF)	111.9937	0.639	3	111.9937	0.408	3	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]O[5a])(F)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3){1|C<3>}	F(CC[5a]FF)	111.4387	2.119	3	111.4387	4.489	3	112.5293	1.705	27	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:S[5a]-2:C-4:	C-4:	C(C[5a]C[5a]S[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]S[5a])(F)3	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CF3){1|C<3>}	F(CC[5a]FF)	112.4657	2.119	3	112.4657	4.491	3	112.4657	4.491	3	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(F)3	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6]N[5a])(F)3	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.7673	1.424	3	112.4168	1.577	6	112.4168	1.577	6	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6]N[5a])(F)3	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6]N[5a])(F)3	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CF3){1|C<3>,2|C<4>}	F(CC[5a]FF)	112.0663	1.243	3	112.4168	1.577	6	112.4168	1.577	6	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6a]N[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3){3|C<3>}	F(CC[5a]FF)	111.8710	1.839	3	111.8710	3.383	3	111.3300	1.730	6	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a,6a]N[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6a]N[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CF3){1|C<3>,1|N<2>}	F(CC[5a]FF)	110.7890	0.254	3	110.7890	0.065	3	111.3300	1.730	6	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	F(CC[5a]FF)	112.0442	0.579	6	112.0442	0.336	6	111.8754	0.493	35	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	F(CC[5a]FF)	111.7403	0.854	11	111.7403	0.729	11	111.8754	0.493	35	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3){2|C<2>}	F(CC[5a]FF)	111.1037	0.679	3	111.1037	0.461	3	111.8754	0.493	35	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3)	F(CC[5a]FF)	C(C[5a]N[5a]2)(F)3	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3){2|C<2>}	F(CC[5a]FF)	112.0614	0.547	15	112.0614	0.299	15	111.8754	0.493	35	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH){2|C<3>}	F(CC[5a]FH)	109.9065	0.600	2	109.9065	0.360	2	110.0266	0.568	12	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	F(CC[5a]FH)	110.3240	0.724	2	110.3240	0.524	2	110.0266	0.568	12	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CFFH){1|C<4>}	F(CC[5a]FH)	109.8780	0.993	2	109.8780	0.986	2	110.0266	0.568	12	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	F(CC[5a]FH)	109.8540	1.153	2	109.8540	1.328	2	110.0266	0.568	12	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH){1|C<3>}	F(CC[5a]FH)	110.0985	0.952	4	110.0985	0.905	4	110.0266	0.568	12	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:2:4:	4:	C[5a]-3:F-1:F-1:H-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(F)2(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]N[5a]2)(F)2(H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	F(CC[5a]FH)	110.6085	0.211	2	110.6085	0.045	2	110.6085	0.045	2	112.4541	1.739	529	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5,5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5,5a]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5,5a]C[5a])(F)3	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3){1|Ga<5>,1|N<3>,2|C<3>}	F(CC[5a]FF)	112.9057	1.297	3	112.9057	1.683	3	112.9057	1.683	3	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5,5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5,5a]N[5a])(F)3	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5,5a]N[5a])(F)3	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3){1|N<3>,1|O<1>,2|C<3>}	F(CC[5a]FF)	112.0095	0.648	6	112.0095	0.420	6	112.0095	0.420	6	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	F(CC[5a]FF)	112.8527	1.130	3	112.8527	1.276	3	112.7560	1.315	6	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6]C[5a])(F)3	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3){1|Ga<5>,3|C<3>}	F(CC[5a]FF)	112.6593	1.408	3	112.6593	1.983	3	112.7560	1.315	6	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]C[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CF3){1|H<1>,2|C<3>}	F(CC[5a]FF)	114.0887	1.812	3	114.0887	3.284	3	114.0887	3.284	3	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a,6a]N[5a])(F)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	F(CC[5a]FF)	112.7440	1.279	3	112.7440	1.637	3	112.7440	1.637	3	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3){2|C<3>}	F(CC[5a]FF)	112.8030	0.559	3	112.8030	0.313	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<3>}	F(CC[5a]FF)	114.1780	2.137	6	113.4051	12.058	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CF3){1|Ni<4>,1|C<4>}	F(CC[5a]FF)	112.6322	4.530	6	113.4051	12.058	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CF3){1|Ni<4>,1|H<1>}	F(CC[5a]FF)	113.1567	0.868	12	113.1567	0.753	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	F(CC[5a]FF)	112.7977	1.260	3	112.7977	1.587	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|H<1>}	F(CC[5a]FF)	112.8490	0.199	3	113.2096	0.699	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|O<2>}	F(CC[5a]FF)	113.9750	1.335	3	113.2096	0.699	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|S<4>}	F(CC[5a]FF)	113.0072	0.576	6	113.2096	0.699	12	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CF3){1|O<2>}	F(CC[5a]FF)	112.8158	1.577	4	112.8158	2.485	4	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	113.2867	0.913	3	113.2867	0.834	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(CC[5a]FF)	113.2692	1.045	12	113.2553	1.402	15	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	F(CC[5a]FF)	113.1997	1.950	3	113.2553	1.402	15	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3){4|C<3>}	F(CC[5a]FF)	113.4830	0.915	3	113.4830	0.837	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	F(CC[5a]FF)	113.5753	2.361	21	112.9962	3.879	39	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|H<1>}	F(CC[5a]FF)	112.3205	1.102	18	112.9962	3.879	39	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(CC[5a]FF)	112.0383	0.602	3	112.5698	0.536	6	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	113.1013	0.359	3	112.5698	0.536	6	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ag<3>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	112.6340	1.891	2	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	113.0560	1.292	3	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	113.1860	1.263	3	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	113.0685	1.288	6	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	113.0228	1.176	6	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	112.6481	1.541	30	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	F(CC[5a]FF)	112.8976	1.420	5	112.8086	1.934	55	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CF3)	F(CC[5a]FF)	112.5617	1.281	3	112.5617	1.640	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]H)2(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]2)(F)3	C[5a](C[5a]N[5a]H)2(CF3){1|C<3>}	F(CC[5a]FF)	113.6243	0.496	3	113.6243	0.246	3	113.0044	2.622	173	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.0267	1.332	3	112.0267	1.773	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	113.4773	1.020	3	113.4773	1.041	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3){1|C<4>}	F(CC[5a]FF)	111.7121	0.834	9	111.7121	0.695	9	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3){1|B<3>}	F(CC[5a]FF)	112.4813	0.334	3	112.4813	0.111	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.1567	1.509	3	112.1567	2.276	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.6160	0.502	6	112.6160	0.252	6	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	F(CC[5a]FF)	111.6961	1.925	11	111.6961	3.706	11	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	F(CC[5a]FF)	112.3033	0.726	3	112.3033	0.527	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	F(CC[5a]FF)	112.5897	1.026	3	112.5897	1.052	3	112.1561	1.606	44	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]N[5a,6,6a]C[5a])(F)3	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6,6a]C[5a])(F)3	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	F(CC[5a]FF)	111.3908	1.412	6	111.3908	1.993	6	111.3908	1.993	6	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]N[5a,6a]C[5a])(F)3	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3){1|C<4>,3|C<3>}	F(CC[5a]FF)	112.6217	2.513	3	112.6217	6.313	3	112.6217	6.313	3	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Ag)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.8290	1.291	2	112.8290	1.667	2	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3){2|C<3>,2|H<1>}	F(CC[5a]FF)	112.5933	1.651	3	112.5933	2.727	3	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.8878	1.153	6	112.8878	1.330	6	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.8515	0.753	6	112.8515	0.566	6	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.6465	0.916	6	112.6465	0.839	6	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.3605	2.114	30	112.3605	4.468	30	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	F(CC[5a]FF)	112.8307	1.611	9	112.8307	2.596	9	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3){1|H<1>,2|C<3>}	F(CC[5a]FF)	112.3413	0.584	3	112.3413	0.341	3	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|N<2>,2|C<3>}	F(CC[5a]FF)	112.2127	2.930	3	112.2127	8.585	3	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3){2|C<3>}	F(CC[5a]FF)	111.7333	1.805	3	111.7333	3.257	3	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CF3)	F(CC[5a]FF)	C(C[5a]C[5a]N[5a])(F)3	C[5a](N[5a]N[5a]Ru)(C[5a]C[5a]H)(CF3){1|C<4>}	F(CC[5a]FF)	113.1083	1.646	6	113.1083	2.710	6	112.5657	2.850	77	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]2)(F)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(CFFH){4|C<3>}	F(CC[5a]FH)	110.4052	0.885	4	110.4052	0.783	4	110.4052	0.783	4	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH){2|C<3>,2|N<2>}	F(CC[5a]FH)	111.6940	0.255	2	111.6940	0.065	2	111.6602	0.219	4	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:F-1:H-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	F(CC[5a]FH)	C(C[5a]C[5a]N[5a])(F)2(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH){2|C<3>}	F(CC[5a]FH)	111.6265	0.766	2	111.6265	0.586	2	111.6602	0.219	4	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:1:1:1:	3:3:4:	4:	C[5a]-3:F-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(F)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH)	F(CC[5a]HH)	C(C[5a]C[5a]N[5a])(F)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH){4|C<3>}	F(CC[5a]HH)	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	112.6898	2.594	333	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:3:1:1:	3:2:4:	4:	C[5a]-3:C-3:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(COO)(F)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a]O[5a])(COO)(F)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF){4|C<3>}	F(CC[5a]CF)	109.8380	0.366	2	109.8380	0.134	2	109.8380	0.134	2	109.8380	0.134	2	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:3:1:1:	3:3:4:	4:	C[5a]-3:C-3:F-1:F-1:	N[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CNO)(F)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a]N[5a])(CNO)(F)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF){2|C<3>,2|H<1>}	F(CC[5a]CF)	110.8600	1.672	2	110.8600	2.794	2	110.8600	2.794	2	110.8600	2.794	2	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:3:3:1:	2:2:4:	4:	C[5a]-3:N-3:N-3:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(NOO)2(F)	C[5a](N[5a]N[5a])2(CFNN)	F(CC[5a]NN)	C(C[5a]N[5a]2)(NOO)2(F)	C[5a](N[5a]N[5a])2(CFNN){1|H<1>}	F(CC[5a]NN)	113.0130	0.132	3	113.0130	0.017	3	113.0130	0.017	3	113.0130	0.017	3	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:3:3:1:	3:2:4:	4:	C[5a]-3:N-3:N-3:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(NOO)2(F)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	F(CC[5a]NN)	C(C[5a]C[5a]N[5a])(NOO)2(F)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(CFNN)	F(CC[5a]NN)	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	2:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	F(CC[5a]CF)	110.1050	0.294	2	110.3750	0.127	4	110.3750	0.127	4	110.3750	0.127	4	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	2:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	N[5a]-2:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|Ir<6>,1|C<3>}	F(CC[5a]CF)	110.6450	0.045	2	110.3750	0.127	4	110.3750	0.127	4	110.3750	0.127	4	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	F(CC[5a]CF)	110.2781	0.547	8	110.2781	0.299	8	110.3638	0.279	12	110.8911	3.342	16	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a,6a]N[5a])(CF3)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	F(CC[5a]CF)	110.5353	0.515	4	110.5353	0.265	4	110.3638	0.279	12	110.8911	3.342	16	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:O[5a]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CF3)(F)2	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a]O[5a])(CF3)(F)2	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF){2|C<3>}	F(CC[5a]CF)	114.8290	2.861	2	114.8290	8.185	2	114.8290	8.185	2	110.8911	3.342	16	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:F-1:F-1:	N[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]N[5a]2)(CCFF)(F)2	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	F(CC[5a]CF)	110.1165	1.826	2	110.1165	3.336	2	110.1165	3.336	2	110.8911	3.342	16	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:3:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	F(CC[5a]CF)	111.2795	1.729	2	111.2795	2.989	2	111.5100	1.332	6	111.2294	1.946	14	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:3:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	F(CC[5a]CF)	111.6252	1.082	4	111.6252	1.170	4	111.5100	1.332	6	111.2294	1.946	14	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:1:1:	3:3:4:	4:	C[5a]-3:C-4:F-1:F-1:	C[5a]-3:C[5a]-3:C-4:	C-4:	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF)	F(CC[5a]CF)	C(C[5a]C[5a]2)(CCFF)(F)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF){1|C<3>,1|H<1>}	F(CC[5a]CF)	111.0190	1.595	8	111.0190	2.545	8	111.0190	2.545	8	111.2294	1.946	14	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:3:1:	2:2:4:	4:	C[5a]-3:C-4:C-3:F-1:	N[5a]-2:S[5a]-2:C-4:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF)	F(CC[5a]CC)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF){2|C<3>}	F(CC[5a]CC)	107.2280	0.537	2	107.2280	0.289	2	107.2280	0.289	2	107.2280	0.289	2	112.4499	2.536	1003	112.4499	2.536	1003
490	727	830	0:SP3_SP-NON_SP2	C	C[5a]	F	3:4:4:1:	3:2:4:	4:	C[5a]-3:C-4:C-4:F-1:	C[5a]-3:N[5a]-2:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CF3)2(F)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF)	F(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CF3)2(F)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF){1|C<3>,1|H<1>}	F(CC[5a]CC)	108.7943	0.945	7	108.7943	0.893	7	108.7943	0.893	7	108.7943	0.893	7	112.4499	2.536	1003	112.4499	2.536	1003