490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	110.1100	0.000	1	110.1100	0.000	1	111.8224	1.343	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	112.5483	0.566	3	112.2505	0.568	4	111.8224	1.343	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	111.3570	0.000	1	112.2505	0.568	4	111.8224	1.343	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	112.1320	0.000	1	112.5212	0.069	4	112.2965	0.163	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	112.6240	0.025	2	112.5212	0.069	4	112.2965	0.163	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	112.7050	0.000	1	112.5212	0.069	4	112.2965	0.163	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	111.8470	0.007	2	111.8470	0.000	2	112.2965	0.163	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	113.3240	0.000	1	113.3240	0.000	1	113.5948	1.886	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>,1|H<1>}	111.3130	0.000	1	111.3130	0.000	1	113.5948	1.886	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Co<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	114.5350	0.000	1	114.4457	0.046	3	113.5948	1.886	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Mn<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	114.2020	0.000	1	114.4457	0.046	3	113.5948	1.886	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Ni<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	114.6000	0.000	1	114.4457	0.046	3	113.5948	1.886	5	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH){1|C<3>}	110.9080	0.000	1	110.9080	0.000	1	111.9870	2.328	2	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	113.0660	0.000	1	113.0660	0.000	1	111.9870	2.328	2	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN[5]HH){2|H<1>}	112.3100	0.000	1	112.3100	0.000	1	111.7295	0.674	2	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Br<1>}	111.1490	0.000	1	111.1490	0.000	1	111.7295	0.674	2	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	112.1440	0.000	1	112.1440	0.000	1	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	110.1600	0.000	1	110.6285	0.439	2	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	111.0970	0.000	1	110.6285	0.439	2	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Cd<6>,1|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	112.2050	0.000	1	112.3000	0.018	2	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Zn<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	112.3950	0.000	1	112.3000	0.018	2	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	111.8780	0.000	1	111.8780	0.000	1	111.6465	0.737	6	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH)	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	109.2615	0.203	2	109.2615	0.041	2	109.2615	0.041	2	112.0250	1.842	28	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(CN[5]HH){1|C<4>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH){1|C<3>,1|C<4>}	112.3690	0.000	1	112.3690	0.000	1	112.4287	3.749	3	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH){1|C<4>}	110.5230	0.000	1	110.5230	0.000	1	112.4287	3.749	3	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[5a]HH)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[5a]HH){4|H<1>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	114.3940	0.000	1	114.3940	0.000	1	112.4287	3.749	3	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	114.1728	1.525	4	114.1728	2.326	4	114.2239	1.608	8	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	114.2750	1.191	4	114.2750	1.418	4	114.2239	1.608	8	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CN[5]HH){2|C<4>}	110.8338	0.619	4	110.8338	0.383	4	110.8023	0.500	9	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	110.7772	0.843	5	110.7772	0.711	5	110.8023	0.500	9	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[5a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN[5]HH){1|Pd<4>,1|C<4>}	114.2785	0.849	2	114.2785	0.721	2	114.2785	0.721	2	112.5149	3.719	23	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	4:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5a]-4:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Cu2)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Cu2)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	113.6430	0.569	2	113.6430	0.323	2	114.4145	1.104	4	114.4145	1.104	4	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:3:4:	4:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5a]-4:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH)	C[5a](N[5a]C[5a]Li2)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Li2)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	115.1860	0.779	2	115.1860	0.607	2	114.4145	1.104	4	114.4145	1.104	4	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	3:4:2:	3:2:4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	N[5a]-3:N[5a]-2:C-4:	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5]){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	4:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	111.7995	0.457	2	111.7995	0.209	2	111.7995	0.209	2	112.5062	1.281	5	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	4:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CN[5]HH){1|C<3>}	114.4160	0.000	1	114.4160	0.000	1	113.2025	2.945	2	112.5062	1.281	5	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	4:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH){1|Cl<1>}	111.9890	0.000	1	111.9890	0.000	1	113.2025	2.945	2	112.5062	1.281	5	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	4:3:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CN[5]HH){1|Cl<1>}	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5062	1.281	5	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:1:1:	4:3:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:3:1:	4:4:3:	4:3:2:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	B[5]-4:C-4:C[5]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H)	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H){2|C<3>}	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:4:1:	3:4:2:	3:2:4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C[5a]-3:O[5a]-2:C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH){2|H<1>}	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:4:1:	3:4:2:	3:3:4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:C-4:P[5]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(CN[5]CH){1|H<1>,2|C<3>}	107.6340	0.834	2	107.6340	0.696	2	107.6340	0.696	2	107.6340	0.696	2	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP2	C	N[5]	C[5a]	3:3:4:1:	4:3:4:	3:2:4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	112.1905	3.425	67	112.1905	3.425	67
490	542	727	0:SP3_SP2_SP3	C	N[5]	C[5a]	3:3:1:1:	4:4:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	111.2890	0.000	1	111.2890	0.000	1	111.9230	0.804	2	111.9230	0.804	2	110.2806	8.333	7	110.2806	8.333	7
490	542	727	0:SP3_SP2_SP3	C	N[5]	C[5a]	3:3:1:1:	4:4:4:	3:2:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	N[5a]-3:N[5a]-2:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	112.5570	0.000	1	112.5570	0.000	1	111.9230	0.804	2	111.9230	0.804	2	110.2806	8.333	7	110.2806	8.333	7
490	542	727	0:SP3_SP2_SP3	C	N[5]	C[5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	112.9630	1.362	2	112.9630	1.855	2	112.9630	1.855	2	109.6236	10.410	5	110.2806	8.333	7	110.2806	8.333	7
490	542	727	0:SP3_SP2_SP3	C	N[5]	C[5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH){2|C<3>}	106.1230	0.000	1	106.1230	0.000	1	107.3973	1.306	3	109.6236	10.410	5	110.2806	8.333	7	110.2806	8.333	7
490	542	727	0:SP3_SP2_SP3	C	N[5]	C[5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	N[5a]-3:C[5a]-3:C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	108.0345	0.419	2	108.0345	0.176	2	107.3973	1.306	3	109.6236	10.410	5	110.2806	8.333	7	110.2806	8.333	7
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:P[5]-2:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.0740	0.000	1	113.3595	0.163	2	113.3595	0.163	2	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:P[5]-2:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|Si<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.6450	0.000	1	113.3595	0.163	2	113.3595	0.163	2	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Fe<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	110.8880	1.844	3	110.8880	3.399	3	110.7120	2.390	4	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:2:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Zn<4>,1|C<4>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	110.1840	0.000	1	110.1840	0.000	1	110.7120	2.390	4	111.5960	2.416	8	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]O)2(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	113.7980	0.387	2	113.7980	0.150	2	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	113.9690	1.500	2	113.9690	2.251	2	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH){1|C<4>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	111.4350	0.000	1	111.4350	0.000	1	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	113.5623	0.684	8	113.5623	0.467	8	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	113.1250	0.000	1	113.1250	0.000	1	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	109.5610	0.225	2	109.5610	0.051	2	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	111.1140	0.000	1	111.1140	0.000	1	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|C<4>,2|H<1>}	113.0270	0.000	1	112.3353	0.544	3	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	111.9895	0.609	2	112.3353	0.544	3	112.7917	2.243	20	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.4480	0.000	1	110.4480	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.6090	0.000	1	113.6090	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH){1|Cl<1>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	109.7080	0.000	1	109.7080	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|Pd<7>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.7150	0.000	1	112.7150	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.0410	0.000	1	110.0410	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.4520	0.000	1	115.2720	2.484	3	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	116.1820	0.000	2	115.2720	2.484	3	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	114.6300	0.000	1	114.6300	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	107.2850	0.000	1	107.2850	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH){2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	110.2520	0.107	2	110.2520	0.012	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	111.1630	0.437	2	111.1630	0.191	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.6020	1.430	5	112.6475	1.858	10	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.3192	1.382	4	112.6475	1.858	10	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	114.1880	0.000	1	112.6475	1.858	10	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	116.1590	0.000	1	114.5195	5.376	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	112.8800	0.000	1	114.5195	5.376	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.2740	0.000	1	111.2740	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.7640	3.394	2	113.2932	5.023	5	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	114.3127	0.624	3	113.2932	5.023	5	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.0465	0.633	2	111.0465	0.401	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	111.9162	1.613	4	111.6692	4.533	31	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.8755	2.498	20	111.6692	4.533	31	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	111.5025	1.207	2	111.6692	4.533	31	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.7132	0.779	5	111.6692	4.533	31	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	109.9365	0.828	2	109.9365	0.686	2	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.4060	0.000	1	113.4060	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	113.0910	0.000	1	113.0910	0.000	1	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.8134	2.580	5	112.5165	3.313	15	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.4860	0.000	1	112.5165	3.313	15	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	113.5385	2.357	2	112.5165	3.313	15	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	113.4670	0.000	1	112.5165	3.313	15	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.7752	1.223	6	112.5165	3.313	15	112.1225	4.333	84	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH){1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.7850	0.000	1	112.7850	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.6650	0.000	1	112.6650	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	113.7907	2.272	6	114.0690	4.843	7	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	115.7390	0.000	1	114.0690	4.843	7	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	112.1970	0.000	1	112.1970	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.2980	0.503	2	113.8046	2.630	5	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	114.8090	1.162	3	113.8046	2.630	5	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.1860	0.000	1	113.9030	3.252	3	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	114.7615	1.443	2	113.9030	3.252	3	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.6020	0.575	4	112.9531	0.606	9	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.2340	0.861	5	112.9531	0.606	9	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.6020	0.000	1	113.6020	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	112.8763	0.823	7	112.8763	0.678	7	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.8030	0.000	1	110.8030	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	111.7600	0.000	1	111.7600	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.4910	0.000	1	113.4910	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.9810	0.000	1	111.9810	0.000	1	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	109.8590	0.024	2	110.4595	0.489	4	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.0600	0.151	2	110.4595	0.489	4	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	109.3430	0.536	2	110.8166	5.043	8	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	108.9005	2.504	2	110.8166	5.043	8	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.6810	1.616	3	110.8166	5.043	8	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|Si<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.0030	0.000	1	110.8166	5.043	8	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.6088	1.725	5	112.6088	2.975	5	112.6183	3.324	56	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	114.3520	3.275	2	114.3520	10.728	2	112.2863	5.096	14	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	108.7615	0.675	2	108.7615	0.456	2	112.2863	5.096	14	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.7413	1.489	3	110.7413	2.216	3	112.2863	5.096	14	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	113.3345	0.783	4	113.3653	0.323	7	112.2863	5.096	14	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.4063	0.213	3	113.3653	0.323	7	112.2863	5.096	14	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	112.3592	3.828	176	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.1170	0.000	1	111.1170	0.000	1	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.5000	0.000	1	111.5000	0.000	1	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.8740	0.000	1	111.8740	0.000	1	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	114.1690	0.000	1	114.1690	0.000	1	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH){1|C<4>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	110.0465	0.920	2	110.0465	0.846	2	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH){2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	112.7755	0.056	2	112.7755	0.003	2	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	113.2040	0.000	1	113.2040	0.000	1	111.9453	2.107	9	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CN[5]HH)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|C<3>}	114.0205	2.350	4	114.0205	5.523	4	114.0205	5.523	4	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:1:1:	4:3:4:	3:3:4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[6]-3:N[6]-3:C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	112.6640	3.579	14	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	110.2560	0.346	2	110.2560	0.120	2	110.2310	0.062	3	110.2310	0.062	3	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	110.1810	0.000	1	110.1810	0.000	1	110.2310	0.062	3	110.2310	0.062	3	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H)	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	109.6940	0.815	4	109.6940	0.664	4	110.4190	0.928	10	110.4190	0.928	10	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H)	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	111.1955	1.288	2	111.1955	1.658	2	110.4190	0.928	10	110.4190	0.928	10	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H)	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	110.7558	0.560	4	110.7558	0.313	4	110.4190	0.928	10	110.4190	0.928	10	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,2|H<1>}	112.0345	0.680	2	112.0345	0.462	2	111.3249	0.494	18	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	110.9917	0.581	4	110.9917	0.337	4	111.3249	0.494	18	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	111.0681	0.707	8	111.0681	0.500	8	111.3249	0.494	18	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	111.8170	0.400	4	111.8170	0.160	4	111.3249	0.494	18	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	112.6580	1.519	2	112.6580	2.307	2	112.7470	0.795	4	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:1:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[6](C[6]C[6]H)2(CN[5]2H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]2H){1|N<3>,2|H<1>}	112.8360	0.216	2	112.8360	0.047	2	112.7470	0.795	4	111.5835	0.829	22	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C-4:N[5]-3:C[5]-3:	C-4:N[6]-3:C[6]-3:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H)	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	107.6570	3.569	2	107.6570	12.741	2	107.6570	12.741	2	109.3675	9.246	4	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C-4:N[5]-3:C[5]-3:	C-4:N[6]-3:C[6]-3:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H)	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	111.0780	1.814	2	111.0780	3.292	2	111.0780	3.292	2	109.3675	9.246	4	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:3:4:	4:3:3:	3:3:4:	N[5]-3:N[5]-3:C[6]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	110.3550	1.413	2	110.3550	1.996	2	110.3550	1.996	2	110.3550	1.996	2	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6]CH)	C[6](C[6]C[6]H)2(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	109.7970	2.635	3	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH){2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	110.8530	0.000	1	110.8530	0.000	1	110.7315	0.030	2	109.7970	2.635	3	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP2	C	N[5]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	N[6]-3:C[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	110.6100	0.000	1	110.6100	0.000	1	110.7315	0.030	2	109.7970	2.635	3	112.0780	3.756	243	112.0780	3.756	243
490	542	762	0:SP3_SP2_SP3	C	N[5]	C[6]	3:3:1:1:	4:4:4:	3:3:4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[6]-3:N[6]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.3490	0.000	2	111.3490	0.000	2
490	542	762	0:SP3_SP2_SP3	C	N[5]	C[6]	3:3:4:1:	4:3:4:	3:2:4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[6]-3:C[6]-2:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3490	0.000	2	111.3490	0.000	2
490	542	790	0:SP3_SP-NON_SP2	C	N[5]	Cl	3:1:1:1:	3:3:4:	4:	N[5]-3:Cl-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(Cl)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	Cl(CN[5]HH)	C(N[5]C[5,6a]C[5])(Cl)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	Cl(CN[5]HH)	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.3530	0.311	3	111.3530	0.311	3
490	542	790	0:SP3_SP-NON_SP2	C	N[5]	Cl	3:1:1:1:	4:3:4:	4:	N[5]-3:Cl-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(Cl)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH)	Cl(CN[5]HH)	C(N[5]C[5]S[5])(Cl)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH){2|C<3>}	Cl(CN[5]HH)	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.3530	0.311	3	111.3530	0.311	3
490	542	790	0:SP3_SP-NON_SP2	C	N[5]	Cl	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:Cl-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(Cl)(H)	N[5](C[5]C[5,6a]O)2(CClCH)	Cl(CN[5]CH)	C(N[5]C[5]2)(CCHH)(Cl)(H)	N[5](C[5]C[5,6a]O)2(CClCH){2|C<3>}	Cl(CN[5]CH)	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	111.3530	0.311	3	111.3530	0.311	3
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Hg<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	111.2760	0.000	1	111.1510	0.031	2	111.1510	0.031	2	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	111.0260	0.000	1	111.1510	0.031	2	111.1510	0.031	2	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	112.7260	0.000	1	112.7260	0.000	1	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Co<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	113.7345	1.102	2	113.5948	0.768	4	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	113.4550	1.006	2	113.5948	0.768	4	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Hg<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	111.6870	0.779	2	111.6352	0.181	5	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Mn<6>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	111.8680	0.000	1	111.6352	0.181	5	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Zn<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	111.4670	0.021	2	111.6352	0.181	5	112.5281	1.289	10	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	113.0120	0.000	1	113.0120	0.000	1	111.3156	1.175	5	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.3156	1.175	5	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	111.1920	0.205	2	111.1920	0.042	2	111.3156	1.175	5	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	109.9990	0.000	1	109.9990	0.000	1	111.3156	1.175	5	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.0563	1.387	18	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	113.1230	0.000	1	113.1230	0.000	1	111.5555	4.914	2	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	109.9880	0.000	1	109.9880	0.000	1	111.5555	4.914	2	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	111.9170	0.000	1	111.9170	0.000	1	110.7566	3.462	5	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	110.4820	2.636	2	110.4820	6.949	2	110.7566	3.462	5	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH){1|Cl<1>}	108.8360	0.000	1	108.8360	0.000	1	110.7566	3.462	5	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:3:4:	3:3:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	112.0660	0.000	1	112.0660	0.000	1	110.7566	3.462	5	110.9849	3.279	7	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	115.5840	0.000	1	115.5840	0.000	1	114.6803	3.029	4	114.6803	3.029	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	115.6170	0.000	1	115.6170	0.000	1	114.6803	3.029	4	114.6803	3.029	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:1:1:	3:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	113.7600	2.387	2	113.7600	5.699	2	114.6803	3.029	4	114.6803	3.029	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	110.1620	0.000	1	110.1620	0.000	1	111.7080	1.873	3	111.7673	1.263	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	112.4810	0.402	2	112.4810	0.161	2	111.7080	1.873	3	111.7673	1.263	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:S-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.7673	1.263	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H){1|C<4>,1|H<1>}	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	110.6178	0.927	4	110.6178	0.859	4	110.6178	0.859	4	110.6178	0.859	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	110.7635	0.514	2	110.7635	0.264	2	110.1241	1.217	20	110.1241	1.217	20	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	110.5195	1.636	4	110.5195	2.675	4	110.1241	1.217	20	110.1241	1.217	20	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	109.3641	0.824	8	109.3641	0.679	8	110.1241	1.217	20	110.1241	1.217	20	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	110.5558	0.407	4	110.5558	0.166	4	110.1241	1.217	20	110.1241	1.217	20	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	110.8705	1.286	2	110.8705	1.654	2	110.1241	1.217	20	110.1241	1.217	20	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:4:2:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:C-4:N[5a]-2:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	110.5955	0.036	2	110.5955	0.001	2	110.5955	0.001	2	110.5955	0.001	2	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C-4:C[5]-3:N[5]-3:	C-4:C[5a]-3:N[5a]-2:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:1:	4:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-3:H-1:	S[5]-4:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:3:	4:3:3:	3:4:2:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C-4:N[5]-3:C[5]-3:	C[5a]-3:C-4:N[5a]-2:	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	N[5]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Pd)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	109.3515	1.411	2	109.3515	1.990	2	108.5130	1.507	8	108.5130	1.507	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	N[5]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PC[6a]2Rh)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	108.2395	1.381	2	108.2395	1.907	2	108.5130	1.507	8	108.5130	1.507	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	3:3:4:	4:3:2:	N[5a]-3:N[5a]-3:N[5]-3:P-4:	N[5]-3:C[5]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(PRhCC)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	108.2305	1.262	4	108.2305	1.593	4	108.5130	1.507	8	108.5130	1.507	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	108.9805	2.234	2	108.9805	4.990	2	108.9805	4.990	2	109.1895	1.387	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:P-4:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(PRuCC)	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	110.3225	0.104	2	110.3225	0.011	2	110.3225	0.011	2	109.1895	1.387	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	108.6445	0.631	2	108.6445	0.399	2	108.7275	0.400	4	109.1895	1.387	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:3:4:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:S-4:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(SO3)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	108.8105	0.880	2	108.8105	0.775	2	108.7275	0.400	4	109.1895	1.387	8	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	109.4730	0.000	1	109.4730	0.000	1	109.8738	0.459	4	109.8738	0.459	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.8738	0.459	4	109.8738	0.459	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	109.6970	0.000	1	109.6970	0.000	1	109.8738	0.459	4	109.8738	0.459	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP2	C	N[5]	N[5a]	3:3:4:1:	3:3:4:	3:2:4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	110.8760	0.000	1	110.8760	0.000	1	109.8738	0.459	4	109.8738	0.459	4	110.6526	3.743	82	110.6526	3.743	82
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:1:1:	3:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	115.9100	0.000	1	115.9100	0.000	1	114.9665	1.780	2	114.9665	1.780	2	112.7714	9.811	11	112.7714	9.811	11
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:1:1:	3:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	114.0230	0.000	1	114.0230	0.000	1	114.9665	1.780	2	114.9665	1.780	2	112.7714	9.811	11	112.7714	9.811	11
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:1:1:	4:4:2:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	112.7714	9.811	11	112.7714	9.811	11
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:1:1:	4:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	115.8640	0.959	2	115.8640	0.919	2	115.8640	0.919	2	114.1442	11.923	4	112.7714	9.811	11	112.7714	9.811	11
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:1:1:	4:4:4:	3:2:4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	112.4245	4.798	2	112.4245	23.018	2	112.4245	23.018	2	114.1442	11.923	4	112.7714	9.811	11	112.7714	9.811	11
490	542	813	0:SP3_SP2_SP3	C	N[5]	N[5a]	3:3:3:1:	4:3:3:	3:2:4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	109.8217	1.280	4	109.8217	1.638	4	109.8217	1.638	4	109.8217	1.638	4	112.7714	9.811	11	112.7714	9.811	11
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-2:C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C[5](N[5]C[5]N)(N[5]N[5])(CN[5]HH){1|H<1>,1|S<1>}	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	110.4010	0.000	1	110.8510	0.405	2	111.7168	1.454	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	111.3010	0.000	1	110.8510	0.405	2	111.7168	1.454	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]Pd)(N[5]N[5]C)(CN[5]HH){1|C<3>}	113.2750	0.000	1	113.2750	0.000	1	111.7168	1.454	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]Rh)(N[5]N[5]C)(CN[5]HH){1|C<3>}	111.8900	0.000	1	111.8900	0.000	1	111.7168	1.454	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<5>,1|C<4>}	110.4105	0.531	2	110.4105	0.282	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	111.7220	0.000	1	111.7220	0.000	1	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	111.0060	0.803	2	111.0060	0.645	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	109.4180	0.000	1	110.0235	0.733	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	110.6290	0.000	1	110.0235	0.733	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	111.6550	0.969	6	111.6553	0.751	10	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<4>,1|C<4>}	112.3495	0.327	2	111.6553	0.751	10	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|Ni<6>,1|C<4>}	110.9620	0.173	2	111.6553	0.751	10	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|Pd<4>,1|C<4>}	112.8848	0.980	6	112.8848	0.960	6	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|Rh<8>,1|C<4>}	107.9555	0.158	2	107.9555	0.025	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	110.8075	0.589	6	111.0001	0.380	8	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<3>}	111.7140	0.000	1	111.0001	0.380	8	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	111.4420	0.000	1	111.0001	0.380	8	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|Ru<6>,1|C<4>}	112.0415	0.023	2	112.0415	0.001	2	111.3274	1.812	35	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	108.0465	0.595	2	108.0465	0.354	2	108.6510	0.483	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	108.7610	0.000	1	109.0540	0.181	3	108.6510	0.483	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CN[5]HH){2|C<3>}	109.2005	0.483	2	109.0540	0.181	3	108.6510	0.483	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<3>}	111.9320	0.000	1	112.5770	2.864	3	112.7136	2.409	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	112.8995	2.259	2	112.5770	2.864	3	112.7136	2.409	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	112.9185	1.941	2	112.9185	3.768	2	112.7136	2.409	5	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH)	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH){1|H<1>,3|C<3>}	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH){1|C<4>}	115.5470	2.213	2	115.5470	4.898	2	112.9810	10.599	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH){1|C<4>}	110.4150	0.748	2	110.4150	0.560	2	112.9810	10.599	4	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH)	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CN[5]HH){2|H<1>}	114.4245	0.076	2	114.4245	0.006	2	114.4245	0.006	2	111.4713	3.414	55	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:1:1:	3:3:4:	4:4:4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:C-4:	C(C[5]C[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C(C[5]C[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:2:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO){1|C<4>,1|H<1>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CN[5]HO){2|C<4>}	113.1300	1.698	2	113.1300	2.885	2	113.1300	2.885	2	113.1300	2.885	2	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:3:1:	3:4:3:	3:3:4:	N[5]-3:N[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-3:	N[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H)	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu){1|H<1>,3|C<3>}	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CN[5]2H){2|H<1>}	114.4345	0.504	2	114.4345	0.254	2	114.4345	0.254	2	114.4345	0.254	2	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	111.3740	0.474	2	111.3740	0.224	2	110.1518	1.242	6	110.3020	0.965	8	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CN[5]2H){1|C<4>,1|H<1>}	109.5408	0.708	4	109.5408	0.502	4	110.1518	1.242	6	110.3020	0.965	8	111.5171	3.434	69	111.5171	3.434	69
490	542	818	0:SP3_SP2_SP2	C	N[5]	C[5]	3:3:3:1:	4:3:3:	3:3:4:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	N[5]-3:N[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(CN[5a]N[5]H){2|C<3>}	110.7525	0.056	2	110.7525	0.003	2	110.7525	0.003	2	110.3020	0.965	8	111.5171	3.434	69	111.5171	3.434	69
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3)	F(CN[5]FF)	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3){1|H<1>,3|C<3>}	F(CN[5]FF)	111.0657	1.170	3	111.0657	1.369	3	111.1975	1.289	24	111.0549	1.478	26	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3)	F(CN[5]FF)	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3){1|C<4>,1|H<1>,2|C<3>}	F(CN[5]FF)	111.2807	0.709	3	111.2807	0.503	3	111.1975	1.289	24	111.0549	1.478	26	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	F(CN[5]FF)	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	F(CN[5]FF)	111.4580	1.299	6	111.2056	1.519	18	111.1975	1.289	24	111.0549	1.478	26	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	F(CN[5]FF)	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	F(CN[5]FF)	111.0794	1.236	12	111.2056	1.519	18	111.1975	1.289	24	111.0549	1.478	26	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(F)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	F(CN[5]FH)	C(N[5]C[5]2)(F)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	F(CN[5]FH)	109.3435	0.984	2	109.3435	0.967	2	109.3435	0.967	2	111.0549	1.478	26	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:1:1:1:	3:4:4:	4:	N[5]-3:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	F(CN[5]FF)	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	F(CN[5]FF)	112.0313	2.258	3	112.0313	5.100	3	112.0313	5.100	3	112.0313	5.100	3	111.0318	2.177	30	111.0318	2.177	30
490	542	830	0:SP3_SP-NON_SP2	C	N[5]	F	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:F-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(F)	N[5](C[5]C[5,6a]O)2(CCCF)	F(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(F)	N[5](C[5]C[5,6a]O)2(CCCF){2|C<3>}	F(CN[5]CC)	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	111.0318	2.177	30	111.0318	2.177	30
490	542	856	0:SP3_SP2_SP2	C	N[5]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[6]-3:C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH)	N[6](C[6]C[6]H)2(CN[5]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH){2|C<3>}	N[6](C[6]C[6]H)2(CN[5]HH){1|C<3>,2|H<1>}	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	111.5910	0.000	1	113.3868	1.242	12	113.3868	1.242	12
490	542	856	0:SP3_SP2_SP2	C	N[5]	N[6]	3:3:1:1:	3:3:4:	3:4:4:	N[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH){1|C<4>,1|H<1>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	111.8215	0.013	2	111.8215	0.000	2	111.8215	0.000	2	111.8215	0.000	2	113.3868	1.242	12	113.3868	1.242	12
490	542	856	0:SP3_SP2_SP2	C	N[5]	N[6]	3:3:1:1:	4:3:4:	3:4:4:	N[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6,6a]-3:C[6,6]-4:C-4:	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	112.7390	0.000	1	113.3868	1.242	12	113.3868	1.242	12
490	542	856	0:SP3_SP2_SP2	C	N[5]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	114.0836	0.420	8	114.0836	0.177	8	114.0836	0.177	8	114.0836	0.177	8	113.3868	1.242	12	113.3868	1.242	12
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	115.1280	2.190	4	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	116.3740	0.000	1	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	116.3010	0.035	2	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	116.2633	0.238	3	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	115.5345	1.048	4	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	114.6518	1.946	5	115.4566	2.270	19	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	115.2470	0.000	1	114.7115	4.783	4	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|C<4>,4|H<1>}	111.4830	0.000	1	114.7115	4.783	4	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	116.1350	0.000	1	114.7115	4.783	4	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	115.9810	0.000	1	114.7115	4.783	4	115.3270	2.593	23	115.3270	2.593	23	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	116.7113	0.032	4	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,5a]O)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,5a]O)2(CN[6]HH){2|C<3>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	116.5980	0.000	1	116.5980	0.000	1	116.7643	0.031	3	116.7113	0.032	4	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH){2|C<3>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	116.9510	0.000	1	116.9510	0.000	1	116.7643	0.031	3	116.7113	0.032	4	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[6]-4:C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5]O)2(CN[6]HH)	N[6](C[6]C[6]HH)2(CN[5]HH)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5]O)2(CN[6]HH){4|H<1>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	116.7440	0.000	1	116.7440	0.000	1	116.7643	0.031	3	116.7113	0.032	4	115.4817	2.429	28	115.4817	2.429	28
490	542	856	0:SP3_SP2_SP3	C	N[5]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:C[6]-4:C[6]-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[5](CC[6a]N[6]H)(C[5]C[5]O)2	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[5](CC[6a]N[6]H)(C[5]C[5]O)2{4|H<1>}	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	115.4817	2.429	28	115.4817	2.429	28
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:3:4:1:	3:3:4:	3:3:3:4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH)	Si(C[6a]C[6a]2)3(CN[5]2H)	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)3(CN[5]2H)	116.3743	0.481	8	116.3743	0.231	8	116.3743	0.231	8	116.3743	0.231	8	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:3:4:1:	3:3:4:	3:4:4:4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	N-3:C-4:C-4:C-4:	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	Si(NC[6a]Zn)(CN[5]2H)(CH3)2	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	Si(NC[6a]Zn)(CN[5]2H)(CH3)2	112.8498	2.032	6	112.8498	4.131	6	112.8498	4.131	6	112.8498	4.131	6	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:3:4:1:	3:3:4:	4:3:4:4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:C-4:C-4:	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	Si(CN[5]2H)(NZnC)(CH3)2	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	Si(CN[5]2H)(NZnC)(CH3)2	113.2390	1.138	2	113.2390	1.296	2	113.2390	1.296	2	113.2390	1.296	2	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:3:4:1:	3:3:4:	4:4:4:4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	N-4:C-4:C-4:C-4:	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH)	Si(NC[6a]CrH)(CN[5]2H)(CH3)2	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	Si(NC[6a]CrH)(CN[5]2H)(CH3)2	113.1910	1.878	2	113.1910	3.527	2	113.1910	3.527	2	113.1910	3.527	2	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:1:1:	3:2:4:	4:2:4:4:	N[5]-3:Si-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:N-2:C-4:Si-4:	C(N[5]C[5]2)(SiSiCN)(H)2	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	C(N[5]C[5]2)(SiSiCN)(H)2	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	Si(CN[5]HH)(NC[5])(CCHH)(SiC3)	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:1:1:	3:3:4:	3:4:4:4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	Si(C[6a]C[6a]2)(CN[5]HH)(CH3)2	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)(CN[5]HH)(CH3)2	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	Si(CN[5]HH)(CH3)3	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	Si(CN[5]HH)(CH3)3	113.7430	0.140	2	113.2395	0.626	4	113.2395	0.626	4	113.2395	0.626	4	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:1:1:	3:3:4:	4:4:4:4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	Si(CN[5]HH)(CH3)3	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|Co<4>,1|H<1>,2|C<3>}	Si(CN[5]HH)(CH3)3	112.7360	0.919	2	113.2395	0.626	4	113.2395	0.626	4	113.2395	0.626	4	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:1:1:	3:4:4:	4:4:4:1:	N[5]-3:Si-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:C-4:C-4:F-1:	C(N[5]C[5]2)(SiCCF)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	Si(CN[5]HH)(CH3)2(F)	C(N[5]C[5]2)(SiCCF)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	Si(CN[5]HH)(CH3)2(F)	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:4:1:	4:3:4:	4:4:4:4:	N[5]-3:Si-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	Si(CN[5]SiH)(CH3)3	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	Si(CN[5]SiH)(CH3)3	112.0765	2.388	2	112.0765	5.702	2	112.1995	2.706	6	112.1995	2.706	6	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	3:4:4:1:	4:3:4:	4:4:4:4:	N[5]-3:Si-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	Si(CN[5]SiH)(CH3)3	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	Si(CN[5]SiH)(CH3)3	112.2610	1.611	4	112.2610	2.595	4	112.1995	2.706	6	112.1995	2.706	6	114.0296	5.636	32	114.0296	5.636	32
490	542	880	0:SP3_SP2_SP3	C	N[5]	Si	4:3:1:1:	3:3:4:	3:4:4:4:	Si-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C(SiC[6a]CC)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CSiHH)	Si(C[6a]C[6a]2)(CN[5]HH)(CH3)2	C(SiC[6a]CC)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CSiHH){2|C<3>}	Si(C[6a]C[6a]2)(CN[5]HH)(CH3)2	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	114.0296	5.636	32	114.0296	5.636	32
490	542	887	0:SP3_SP2_SP3	C	N[5]	S	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(CN[5]HH)(O)	113.6180	0.000	1	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2
490	542	887	0:SP3_SP2_SP3	C	N[5]	S	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CN[5]HH)(O)	108.8520	0.000	1	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2	111.2350	11.357	2
490	542	893	0:SP3_SP2_SP2	C	N[5]	O	3:2:1:1:	3:2:4:	4:3:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:C-3:	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	O(CN[5]HH)(CCO)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	O(CN[5]HH)(CCO)	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	109.7207	2.680	7	109.7207	2.680	7
490	542	893	0:SP3_SP2_SP2	C	N[5]	O	3:2:1:1:	3:3:4:	3:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	O(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN[5]HH)	111.0825	0.811	2	111.0825	0.658	2	109.7672	3.324	5	109.7672	3.324	5	109.7207	2.680	7	109.7207	2.680	7
490	542	893	0:SP3_SP2_SP2	C	N[5]	O	3:2:1:1:	3:3:4:	3:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO)	O(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(CN[5]HH)	108.8903	1.854	3	108.8903	3.436	3	109.7672	3.324	5	109.7672	3.324	5	109.7207	2.680	7	109.7207	2.680	7
490	542	893	0:SP3_SP2_SP2	C	N[5]	O	3:3:2:1:	4:3:4:	4:3:	N[5]-3:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	O(CN[5]CH)(CCO)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	O(CN[5]CH)(CCO)	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	109.7207	2.680	7	109.7207	2.680	7
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:2:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	O(CN[5]HH)(CH3)	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:1:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CHHO)	O(CN[5]HH)(H)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CHHO){2|C<3>}	O(CN[5]HH)(H)	112.0200	0.000	1	112.0200	0.000	1	110.7130	3.416	2	110.7130	3.416	2	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:1:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	O(CN[5]HH)(H)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	O(CN[5]HH)(H)	109.4060	0.000	1	109.4060	0.000	1	110.7130	3.416	2	110.7130	3.416	2	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]HH)(CH3)	112.6560	0.000	1	112.6560	0.000	1	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CN[5]HH)(CH3)	112.6633	0.540	3	112.6132	0.205	4	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]HH)(CH3)	112.4630	0.000	1	112.6132	0.205	4	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	O(CN[5]HH)(CH3)	109.7845	3.823	2	108.9540	9.378	3	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	O(CN[5]HH)(CH3)	107.2930	0.000	1	108.9540	9.378	3	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	O(CN[5]HH)(CH3)	111.5860	0.000	1	112.2777	1.759	3	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	O(CN[5]HH)(CH3)	113.8070	0.000	1	112.2777	1.759	3	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	O(CN[5]HH)(CH3)	111.4400	0.000	1	112.2777	1.759	3	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	O(CN[5]HH)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	O(CN[5]HH)(CCHH)	111.7940	1.219	2	112.3298	1.683	4	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	O(CN[5]HH)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	O(CN[5]HH)(CCHH)	112.8655	1.554	2	112.3298	1.683	4	111.7415	4.098	15	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	O(CC[6a]HH)(CN[5]HH)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	O(CC[6a]HH)(CN[5]HH)	112.7855	0.902	2	113.3113	1.236	3	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	O(CC[6a]HH)(CN[5]HH)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	O(CC[6a]HH)(CN[5]HH)	114.3630	0.000	1	113.3113	1.236	3	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO)	O(CN[5]HH)(CCHH)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO){1|H<1>,2|C<4>}	O(CN[5]HH)(CCHH)	108.2650	0.000	1	108.2650	0.000	1	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	O(CN[5]HH)(CCHH)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	O(CN[5]HH)(CCHH)	111.4380	0.000	1	111.4380	0.000	1	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	O(CN[5]HH)(CH3)	111.6180	0.000	1	111.6180	0.000	1	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO)	O(CN[5]HH)(CH3)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	O(CN[5]HH)(CH3)	111.6305	0.050	2	111.6305	0.003	2	111.8145	3.149	8	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C-4:	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	O(C[6]C[6]2H)(CN[5]HH)	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CN[5]HH)	111.3920	1.014	2	111.3920	1.028	2	110.3260	2.638	5	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C-4:	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	O(C[6]C[6]2H)(CN[5]HH)	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CN[5]HH)	109.6153	1.694	3	109.6153	2.869	3	110.3260	2.638	5	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	3:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]N[5])(OC)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO)	O(CN[5]HH)(CCHH)	C(N[5]C[5]N[5])(OC)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO){1|C<4>,1|H<1>}	O(CN[5]HH)(CCHH)	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	111.5300	3.531	29	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	4:3:4:	4:1:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:H-1:	C(N[5]C[5,5]C[5])(OH)(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	O(CN[5]HH)(H)	C(N[5]C[5,5]C[5])(OH)(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(CN[5]HH)(H)	111.6990	1.926	2	111.6990	3.710	2	111.6990	3.710	2	111.9123	1.992	3	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	4:3:4:	4:1:	N[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:H-1:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO)	O(CN[5]HH)(H)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO){2|H<1>}	O(CN[5]HH)(H)	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	111.9123	1.992	3	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:2:1:1:	4:3:4:	4:4:	N[5]-3:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]S[5])(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO)	O(CN[5]HH)2	C(N[5]C[5]S[5])(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO){2|C<3>}	O(CN[5]HH)2	111.1025	2.372	2	111.1025	5.628	2	111.1025	5.628	2	111.1025	5.628	2	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:3:2:1:	3:3:4:	4:1:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C-4:H-1:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO)	O(CC[5]N[5]H)(H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO){1|C<4>,1|H<1>}	O(CC[5]N[5]H)(H)	109.1780	1.741	2	109.1780	3.031	2	109.1780	3.031	2	109.1780	3.031	2	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:3:2:1:	4:3:4:	4:3:	N[5]-3:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:C[6a]-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	O(CC[6a]N[5]H)(C[6a]C[6a]2)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	O(CC[6a]N[5]H)(C[6a]C[6a]2)	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:4:2:1:	3:2:4:	4:4:	N[5]-3:C-4:O-2:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](C[5]N[5]C)(N[5]N[5])(CCHO)	O(CN[5]CH)(CH3)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](C[5]N[5]C)(N[5]N[5])(CCHO){1|Ru<8>}	O(CN[5]CH)(CH3)	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP2_SP3	C	N[5]	O	3:4:2:1:	4:3:4:	4:4:	N[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:Si-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	O(CN[5]CH)(SiC3)	C(N[5]C[5]2)(CCHH)(OSi)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	O(CN[5]CH)(SiC3)	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	111.2253	3.565	42	111.2253	3.565	42
490	542	893	0:SP3_SP3_SP3	C	N[5]	O	3:3:4:2:	4:4:4:	4:1:	C[6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:	C-4:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	O(CC[6a]N[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	O(CC[6a]N[5]C)(H)	113.2670	0.764	3	113.2670	0.584	3	113.2670	0.584	3	113.2670	0.584	3	113.2670	0.584	3	113.2670	0.584	3
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:2:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pd<4>,1|C<4>}	S(C[6a]C[6a]2)(CN[5]HH)	113.1330	1.486	3	113.3137	1.669	7	113.3137	1.669	7	113.3137	1.669	7	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:2:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pt<4>,1|C<4>}	S(C[6a]C[6a]2)(CN[5]HH)	113.5185	1.419	2	113.3137	1.669	7	113.3137	1.669	7	113.3137	1.669	7	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:2:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	S(C[6a]C[6a]2)(CN[5]HH)	113.3800	1.841	2	113.3137	1.669	7	113.3137	1.669	7	113.3137	1.669	7	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:3:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(CN[5]HH)	113.3690	0.000	1	113.3690	0.000	1	114.4675	2.413	2	114.1317	1.545	3	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:3:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(CN[5]HH)	115.5660	0.000	1	115.5660	0.000	1	114.4675	2.413	2	114.1317	1.545	3	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	3:3:4:	3:4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5]2)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	S(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]2)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(CN[5]HH)	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	114.1317	1.545	3	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:2:1:1:	4:3:4:	4:3:	N[5]-3:S-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-3:	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	S(CN[5]HH)(CN[6]S)	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	S(CN[5]HH)(CN[6]S)	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP2	C	N[5]	S	3:3:2:3:	3:3:4:	4:3:	C[6a]-3:N[5]-3:S-2:C-3:	C[5]-3:C[5]-3:C-4:	C-4:C[6a]-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	N[5](C[5]C[5,6a]O)2(CC[6a]CS)	S(CC[6a]N[5]C)(C[6a]C[6a]2)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	N[5](C[5]C[5,6a]O)2(CC[6a]CS){2|C<3>}	S(CC[6a]N[5]C)(C[6a]C[6a]2)	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	113.4009	2.570	12	113.4009	2.570	12
490	542	909	0:SP3_SP2_SP3	C	N[5]	S	3:2:1:1:	3:3:4:	4:4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:P-4:	C(N[5]C[5]2)(SP)(H)2	N[5](C[5]C[5,6a]O)2(CHHS)	S(CN[5]HH)(POOS)	C(N[5]C[5]2)(SP)(H)2	N[5](C[5]C[5,6a]O)2(CHHS){2|C<3>}	S(CN[5]HH)(POOS)	113.4840	0.000	1	113.4840	0.000	1	113.4840	0.000	1	113.4840	0.000	1	114.0685	0.683	2	114.0685	0.683	2
490	542	909	0:SP3_SP2_SP3	C	N[5]	S	3:2:1:1:	4:3:4:	4:4:	N[5]-3:S-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-4:	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	S(CN[5]HH)(CH3)	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	S(CN[5]HH)(CH3)	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	114.0685	0.683	2	114.0685	0.683	2
490	542	921	0:SP3_SP2_SP3	C	N[5]	Se	3:2:1:1:	3:2:4:	3:4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C-4:	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	Se(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	Se(C[6a]C[6a]2)(CN[5]HH)	112.4090	0.277	2	112.4090	0.077	2	112.4090	0.077	2	112.4090	0.077	2	111.9032	0.859	8	111.9032	0.859	8
490	542	921	0:SP3_SP2_SP3	C	N[5]	Se	3:2:1:1:	3:3:4:	3:4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:	C(N[5]C[5]2)(SeC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	Se(C[6a]C[6a]2)(CN[5]HH)	C(N[5]C[5]2)(SeC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(CN[5]HH)	111.7347	1.025	6	111.7347	1.050	6	111.7347	1.050	6	111.7347	1.050	6	111.9032	0.859	8	111.9032	0.859	8
490	542	924	0:SP3_SP-NON_SP2	C	N[5]	Br	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:Br-1:Br-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(Br)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	Br(CN[5]BrC)	C(N[5]C[5]2)(COO)(Br)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	Br(CN[5]BrC)	111.4700	1.715	2	111.4700	2.943	2	111.4700	2.943	2	111.4700	2.943	2	111.4700	2.943	2	111.4700	2.943	2
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	2:2:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	2:2:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:O-1:O-1:	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(CN[5]HH)(O)2	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	C(CN[5]HH)(O)2	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.2910	0.621	2	111.2910	0.385	2	111.2910	0.385	2	111.2910	0.385	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:O-1:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	C(CN[5]HH)(O)2	113.3600	0.000	1	113.8510	0.583	3	113.8510	0.583	3	113.8510	0.583	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:O-1:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(O)2	114.7310	0.000	1	113.8510	0.583	3	113.8510	0.583	3	113.8510	0.583	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:O-1:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	C(CN[5]HH)(O)2	113.4620	0.000	1	113.8510	0.583	3	113.8510	0.583	3	113.8510	0.583	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OH)(O)	116.4680	0.000	1	112.3817	12.544	3	112.3817	12.544	3	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OH)(O)	110.3385	0.202	2	112.3817	12.544	3	112.3817	12.544	3	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OC)(O)	111.4810	0.000	1	110.8910	0.696	2	111.7031	1.403	8	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C(CN[5]HH)(OC)(O)	110.3010	0.000	1	110.8910	0.696	2	111.7031	1.403	8	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	C(CN[5]HH)(OH)(O)	112.7387	0.069	4	112.7387	0.005	4	111.7031	1.403	8	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	C(CN[5]HH)(OH)(O)	110.8500	0.000	1	110.8500	0.000	1	111.7031	1.403	8	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	C(CN[5]HH)(OH)(O)	110.0380	0.000	1	110.0380	0.000	1	111.7031	1.403	8	111.8882	3.591	11	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	112.9247	1.709	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	C(CN[5]HH)(CCH)(H)	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	112.9247	1.709	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:C-3:H-1:	C(N[5]Se[5]C[5])(CCH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]Se[5]C[5])(CCH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C(CN[5]HH)(CHH)(H)	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	112.9247	1.709	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:2:4:	4:4:3:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:	C-4:C-4:C-3:	C(N[5]C[5,6a]O[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C(CN[5]HH)(CCHH)(CHH)	C(N[5]C[5,6a]O[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]HH)(CCHH)(CHH)	114.1810	0.000	1	114.1810	0.000	1	114.1810	0.000	1	114.1810	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C-4:O-1:	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[6]C[6,6a]2)(CN[5]HH)(O)	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C(N[6]C[6,6a]2)(CN[5]HH)(O)	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:	C(N[5]C[5]2)(CC[5]H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(C[5]C[5,5]C[5])(CN[5]HH)(H)	C(N[5]C[5]2)(CC[5]H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(C[5]C[5,5]C[5])(CN[5]HH)(H)	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[5a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(C[5a]C[5a]N[5a])(CN[5]HH)(O)	C(N[5]C[5]2)(CC[5a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(C[5a]C[5a]N[5a])(CN[5]HH)(O)	113.2000	0.447	2	113.2000	0.200	2	113.2000	0.200	2	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	112.5633	0.482	3	112.5633	0.233	3	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	112.0300	0.000	1	112.0300	0.000	1	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	112.6240	0.000	1	111.6093	3.052	3	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.1020	2.135	2	111.6093	3.052	3	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.5920	0.553	2	111.7130	0.203	6	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){2|C<4>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.7735	0.471	4	111.7130	0.203	6	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	113.0200	0.000	1	113.0200	0.000	1	111.9890	0.810	14	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	C(NC[6a]Pd)(CN[5]HH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(NC[6a]Pd)(CN[5]HH)(O)	116.5330	3.006	3	116.5330	9.038	3	112.8098	8.388	20	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(NC[6a]Ni)(CN[5]HH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(NC[6a]Ni)(CN[5]HH)(O)	111.2482	1.425	4	111.2482	2.030	4	112.8098	8.388	20	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(NC[6a]Pd)(CN[5]HH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(NC[6a]Pd)(CN[5]HH)(O)	112.4311	2.614	13	112.4311	6.833	13	112.8098	8.388	20	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-1:	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(N[5]C[5]2)(CN[5]HH)(O)	112.5590	0.000	1	112.5590	0.000	1	111.1800	3.803	2	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-1:	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	109.8010	0.000	1	109.8010	0.000	1	111.1800	3.803	2	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C-4:O-1:	C(N[5]C[5]2)(CN[6]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[6]C[6]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CN[6]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(N[6]C[6]2)(CN[5]HH)(O)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	112.2609	4.866	42	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:C-2:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(CC)	112.4657	0.791	6	112.4657	0.626	6	112.4657	0.626	6	112.4461	0.449	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:N-2:	C(N[5]C[5]2)(CC[6a]N)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(NO)	C(N[5]C[5]2)(CC[6a]N)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(NO)	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.4461	0.449	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:N-2:	C(N[5]C[5]2)(CNN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(NC[6a]Cr)(CN[5]HH)(NC[6a])	C(N[5]C[5]2)(CNN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(NC[6a]Cr)(CN[5]HH)(NC[6a])	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.4461	0.449	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	3:4:4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:C-4:	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(NC[6a]Pd)(CN[5]HH)(CH3)	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(NC[6a]Pd)(CN[5]HH)(CH3)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:H-1:H-1:	C(N[5]C[5,6a]C[5])(CHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(H)2	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(O)2	113.9735	1.014	4	113.9735	1.028	4	113.6717	0.655	10	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(O)2	113.4705	0.663	6	113.4705	0.440	6	113.6717	0.655	10	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(H)2	C(N[5]C[5]2)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C(CN[5]HH)(H)2	113.3155	0.581	2	113.3155	0.337	2	113.3155	0.337	2	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(O)2	114.8105	0.843	4	114.8105	0.710	4	113.8344	1.212	10	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(O)2	113.1837	0.697	6	113.1837	0.486	6	113.8344	1.212	10	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(O)2	115.6710	0.000	1	115.6710	0.000	1	115.6710	0.000	1	113.7647	0.953	24	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[5]HH)(OH)(O)	109.3060	0.873	2	109.3060	0.761	2	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]HH)(OC)(O)	112.9940	0.000	1	112.9940	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OCo)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OCo)(O)	111.5610	0.000	1	111.5610	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OH)(O)	113.8090	0.000	1	113.8090	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OZn)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OZn)(O)	111.0320	0.000	1	111.0320	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OC)(O)	111.4510	0.000	1	111.4510	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OCu)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OCu)(O)	113.1170	0.000	1	113.1170	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OH)(O)	113.9485	0.566	2	113.9485	0.321	2	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OMn)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OMn)(O)	112.5610	0.000	1	112.5610	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OPd)(O)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OPd)(O)	112.7020	0.000	1	112.7020	0.000	1	112.1447	2.790	12	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OH)(O)	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-2:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC)(O)	111.5810	0.000	1	111.5810	0.000	1	111.5040	0.012	2	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-2:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a])(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a])(O)	111.4270	0.000	1	111.4270	0.000	1	111.5040	0.012	2	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:H-1:	C(N[5]C[5]2)(CHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C(CN[5]HH)(OC)(H)	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(CN[5]HH)(OC)(O)	110.8580	0.933	2	110.8580	0.871	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	C(CN[5]HH)(OH)(O)	112.1763	1.586	3	112.1763	2.517	3	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C(CN[5]HH)(OC)(O)	111.7575	0.377	2	111.7575	0.142	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(OC)(O)	111.3570	0.000	1	111.3570	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(OH)(O)	112.5520	1.865	7	112.5520	3.479	7	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(OSn)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(OSn)(O)	113.7163	1.482	3	113.7163	2.196	3	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C(CN[5]HH)(OH)(O)	108.9350	0.651	2	108.9350	0.423	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OH)(O)	112.5420	0.000	1	112.5420	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(OC)(O)	110.4970	0.000	1	111.6616	2.594	7	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OC)(O)	111.8557	1.672	6	111.6616	2.594	7	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OC[6])(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OC[6])(O)	112.4527	1.432	4	112.4527	2.051	4	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OH)(O)	111.5130	0.654	9	111.5130	0.427	9	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OCo)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	C(CN[5]HH)(OCo)(O)	114.6300	0.615	2	114.6300	0.378	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(CN[5]HH)(OC)(O)	110.2100	1.281	2	110.2100	1.642	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C(CN[5]HH)(OH)(O)	114.3530	0.000	1	114.3530	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C(CN[5]HH)(OC)(O)	112.4940	0.000	1	112.4940	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(OC)(O)	111.2990	0.000	1	111.2990	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	C(CN[5]HH)(OC)(O)	111.3760	0.000	1	111.3760	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(CN[5]HH)(OC)(O)	111.1750	0.000	1	111.7970	0.774	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OC)(O)	112.4190	0.000	1	111.7970	0.774	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C(CN[5]HH)(OC)(O)	113.0880	0.000	1	113.0880	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(CN[5]HH)(OC)(O)	116.0960	0.000	1	116.0960	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(CN[5]HH)(OC)(O)	111.5000	0.000	1	111.5000	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	C(CN[5]HH)(OH)(O)	112.9820	0.000	1	112.9820	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OC)(O)	110.9470	0.618	2	110.9470	0.382	2	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(OC)(O)	111.0740	0.000	1	111.0740	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(ORu)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(ORu)(O)	118.2650	0.000	1	118.2650	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(OC)(O)	110.9653	0.575	3	110.9653	0.330	3	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(OH)(O)	110.9260	0.000	1	110.9260	0.000	1	112.0495	3.072	63	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH){1|Cl<1>,1|C<3>}	C(CN[5]HH)(OC)(O)	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	112.0929	2.974	80	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:2:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-2:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(CN[5]HH)(OC)2	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(OC)2	112.1905	1.404	2	112.1905	1.970	2	112.1905	1.970	2	111.8215	5.514	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-2:O-2:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a])(ONi)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a])(ONi)	108.3800	1.120	2	108.3800	1.255	2	108.3800	1.255	2	111.8215	5.514	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:2:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-2:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(OCu)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(OCu)2	113.3577	0.811	4	113.3577	0.658	4	113.3577	0.658	4	111.8215	5.514	8	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6]C[5])(CNO)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(CN[5]HH)(NPdC)(O)	C(N[5]C[5,6]C[5])(CNO)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	C(CN[5]HH)(NPdC)(O)	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C(CN[5]HH)(CHH)(H)	112.7650	0.358	2	112.7650	0.128	2	112.7650	0.128	2	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(CN[5]HH)(CHH)(H)	113.2858	1.008	4	113.2858	1.016	4	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.9688	1.289	4	113.3290	1.587	7	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CN[5]HH)(CHH)(H)	114.1325	1.643	2	113.3290	1.587	7	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(CN[5]HH)(CHH)(H)	113.1630	0.000	1	113.3290	1.587	7	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(CN[5]HH)(CHH)(H)	113.7894	1.060	5	113.7297	2.494	8	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CN[5]HH)(CHH)(H)	114.6610	0.000	1	113.7297	2.494	8	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C(CN[5]HH)(CHH)(H)	113.1150	3.364	2	113.7297	2.494	8	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	111.0530	0.000	1	111.0530	0.000	1	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CC[6a]H)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]HH)(CC[6a]H)(H)	113.9740	0.000	1	113.9740	0.000	1	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CN[5]HH)(CHH)(H)	113.4170	0.412	3	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[5]HH)(CHH)(H)	114.0650	0.167	2	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.1963	0.910	3	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	113.1825	0.462	4	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(CN[5]HH)(CHH)(H)	112.0200	0.040	2	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C(CN[5]HH)(CHH)(H)	112.2163	2.088	3	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	C(CN[5]HH)(CHH)(H)	114.7380	1.680	2	113.0455	1.602	19	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	113.5003	0.340	3	113.2019	2.364	7	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<6>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.9780	2.120	4	113.2019	2.364	7	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CCC)(H)	113.6120	2.490	2	113.6120	6.202	2	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CCH)(H)	114.1600	0.000	1	114.1600	0.000	1	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	111.2960	0.378	3	111.2960	0.143	3	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	111.6330	0.000	1	111.6330	0.000	1	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.0205	0.605	2	112.0205	0.366	2	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	110.3840	0.000	1	110.3840	0.000	1	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.5945	0.344	2	112.5945	0.119	2	113.0188	1.934	59	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:O-1:	C(N[5]C[5,6a]C[5])(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C(CN[5]HH)(CC[5a]N)(O)	C(N[5]C[5,6a]C[5])(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C(CN[5]HH)(CC[5a]N)(O)	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C(CN[5]HH)(NC[6a]H)(O)	109.7290	0.000	1	109.7290	0.000	1	114.1300	9.002	4	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(CN[5]HH)(NHH)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(NHH)(O)	115.5970	0.768	3	115.5970	0.590	3	114.1300	9.002	4	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:Br-1:	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(CN[5]HH)(CBrH)(Br)	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(CN[5]HH)(CBrH)(Br)	112.0770	0.120	2	112.0770	0.014	2	112.0770	0.014	2	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	C(CN[5]HH)(CHH)(H)	111.4850	0.000	1	111.4850	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(CCH)(H)	112.1448	1.759	6	112.1448	3.094	6	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(CHH)(H)	113.5650	0.000	1	112.8860	0.922	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|S<2>}	C(CN[5]HH)(CHH)(H)	112.2070	0.000	1	112.8860	0.922	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C(CN[5]HH)(CHH)(H)	113.2275	1.480	2	113.2275	2.190	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C(CN[5]HH)(CCH)(H)	112.1840	0.000	1	112.1840	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C(CN[5]HH)(CCH)(H)	111.9105	1.750	2	111.9105	3.063	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CCH)(H)	113.7260	0.000	1	113.7260	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CHH)(H)	113.5600	0.000	1	113.5600	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CCH)(H)	110.9900	0.000	1	110.9900	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CHH)(H)	110.5415	0.262	2	113.0770	22.273	13	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CHH)(H)	113.7972	6.976	6	113.0770	22.273	13	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mn<6>,1|H<1>}	C(CN[5]HH)(CHH)(H)	113.5675	0.754	2	113.0770	22.273	13	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<6>,1|H<1>}	C(CN[5]HH)(CHH)(H)	114.7410	0.000	1	113.0770	22.273	13	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C(CN[5]HH)(CHH)(H)	112.1295	1.507	2	113.0770	22.273	13	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CCH)(H)	111.7030	1.738	2	111.7030	3.021	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CHH)(H)	113.3715	4.058	2	113.3715	16.468	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	C(CN[5]HH)(CHH)(H)	113.6200	0.000	1	113.8315	0.089	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	C(CN[5]HH)(CHH)(H)	114.0430	0.000	1	113.8315	0.089	2	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(CN[5]HH)(CHH)(H)	113.0072	1.826	5	113.1066	2.296	7	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.9920	0.000	1	113.1066	2.296	7	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	113.7180	0.000	1	113.1066	2.296	7	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>}	C(CN[5]HH)(CHH)(H)	115.5450	0.000	1	115.5450	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CHH)(H)	111.1860	0.000	1	111.1860	0.000	1	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CHH)(H)	111.7097	0.836	4	111.7097	0.699	4	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CHH)(H)	111.8939	1.574	12	111.7089	2.596	17	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CHH)(H)	111.2648	1.796	5	111.7089	2.596	17	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	C(CN[5]HH)(CHH)(H)	111.9846	1.614	8	111.9846	2.605	8	112.4178	5.918	74	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[5]HH)(NCC)(O)	110.8943	1.217	3	110.8943	1.482	3	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	C(CN[5]HH)(NCC)(O)	111.4460	0.000	1	111.4460	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(NCH)(O)	114.8070	0.000	1	114.8070	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NCC)(O)	109.8985	0.553	4	109.8985	0.306	4	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NCH)(O)	112.7380	0.000	1	112.7380	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	110.8560	1.221	7	110.9454	1.342	8	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	111.5710	0.000	1	110.9454	1.342	8	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(NHH)(O)	112.8995	1.069	4	112.8995	1.143	4	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH)	C(CN[5]HH)(NPdC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NPdC)(O)	119.6740	0.000	1	119.6740	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(NPdC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NPdC)(O)	118.4590	0.000	1	118.4590	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	112.0205	0.677	2	112.0205	0.458	2	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NNiC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NNiC)(O)	111.3090	2.874	2	111.3090	8.258	2	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(NCC)(O)	114.2620	0.000	1	114.2620	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	111.8487	1.325	4	111.8487	1.755	4	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NHH)(O)	112.2550	0.000	1	112.2550	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NPdC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NPdC)(O)	116.4220	0.000	1	116.4220	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(NCH)(O)	117.2320	0.000	1	117.2320	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a]2)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]2)(O)	110.6930	0.000	1	110.6930	0.000	1	112.2562	6.276	37	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(CN[5]HH)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	C(CN[5]HH)(CCC)(H)	113.8370	2.147	2	113.8370	4.609	2	113.8370	4.609	2	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CHH)(H)	112.8465	0.002	2	112.8465	0.000	2	112.8543	0.000	3	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CHH)(H)	112.8700	0.000	1	112.8700	0.000	1	112.8543	0.000	3	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-3:O-1:	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(OMn2)(O)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(OMn2)(O)	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	112.6256	4.632	186	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:2:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:C-2:	C(N[5]C[5,6a]C[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(CN[5]HH)(CHH)(CN)	C(N[5]C[5,6a]C[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(CN)	112.4895	0.820	2	112.4895	0.672	2	112.4895	0.672	2	110.6673	4.689	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:2:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:N-3:O-2:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(NC[6a]H)(ORu)	109.3403	2.317	3	109.3403	5.369	3	109.3403	5.369	3	110.6673	4.689	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-2:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(ORu)	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	110.6673	4.689	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(CC[6a]H)(CCO)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(CC[6a]H)(CCO)	116.1430	0.000	1	116.1430	0.000	1	114.4510	1.952	6	114.4510	1.952	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CN[5]HH)(CC[6a]H)(COO)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(CN[5]HH)(CC[6a]H)(COO)	113.7225	0.108	2	113.7225	0.012	2	114.4510	1.952	6	114.4510	1.952	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(CN[5]HH)(CC[6a]H)(CCO)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	C(CN[5]HH)(CC[6a]H)(CCO)	116.3070	0.000	1	116.3070	0.000	1	114.4510	1.952	6	114.4510	1.952	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(CN[5]HH)(CC[6a]H)(COO)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){2|H<1>}	C(CN[5]HH)(CC[6a]H)(COO)	113.4055	0.438	2	113.4055	0.192	2	114.4510	1.952	6	114.4510	1.952	6	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-3:C-4:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C(CN[5]HH)(CRuC)(CH3)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(CN[5]HH)(CRuC)(CH3)	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:C-4:H-1:	C(N[5]C[5,5a]C[5])(CCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CCHH)(H)	C(N[5]C[5,5a]C[5])(CCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C(CN[5]HH)(CCHH)(H)	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	112.3840	1.054	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:O-1:	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C(CN[5]HH)(CC3)(O)	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C(CN[5]HH)(CC3)(O)	112.2250	0.000	1	112.2250	0.000	1	111.6130	0.749	2	112.3840	1.054	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:O-1:	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(CN[5]HH)(CH3)(O)	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C(CN[5]HH)(CH3)(O)	111.0010	0.000	1	111.0010	0.000	1	111.6130	0.749	2	112.3840	1.054	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[4]-4:C-4:O-1:	C(N[5]C[5]2)(CC[4]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(C[4]C[4]2H)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[4]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C(C[4]C[4]2H)(CN[5]HH)(O)	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	112.3840	1.054	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:N-2:	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CC3)(NC)	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C(CN[5]HH)(CC3)(NC)	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.7180	0.407	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[4]-4:C-4:N-2:	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(C[4]C[4]2H)(CN[5]HH)(NN)	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[4]C[4]2H)(CN[5]HH)(NN)	114.3620	0.000	1	114.3620	0.000	1	114.0335	0.216	2	113.7180	0.407	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:2:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[4]-4:C-4:N-2:	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(C[4]C[4]2H)(CN[5]HH)(NO)	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	C(C[4]C[4]2H)(CN[5]HH)(NO)	113.7050	0.000	1	113.7050	0.000	1	114.0335	0.216	2	113.7180	0.407	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(CH3)(CHH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CH3)(CHH)	113.0820	2.469	2	113.0820	6.097	2	114.0377	5.788	3	113.4005	5.483	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CN[5]HH)(CH3)(CHH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(CH3)(CHH)	115.9490	0.000	1	115.9490	0.000	1	114.0377	5.788	3	113.4005	5.483	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:3:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-4:C-3:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C(CN[5]HH)(CCHH)(CHH)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	C(CN[5]HH)(CCHH)(CHH)	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	113.4005	5.483	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CN[5]HH)(SCOO)2	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C(CN[5]HH)(SCOO)2	113.2290	0.499	2	113.2290	0.249	2	113.5258	0.204	4	113.3752	0.267	5	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH)	C(CN[5]HH)(SCOO)2	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH){1|H<1>}	C(CN[5]HH)(SCOO)2	113.8225	0.110	2	113.8225	0.012	2	113.5258	0.204	4	113.3752	0.267	5	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:3:4:	4:4:4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:S-4:S-4:	C(N[5]C[5]N[5])(CSS)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C(CN[5]HH)(SCOO)2	C(N[5]C[5]N[5])(CSS)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	C(CN[5]HH)(SCOO)2	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	113.3752	0.267	5	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	3:4:3:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[6]-3:C-4:C-3:	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C(C[6]C[6]2)(CN[5]HH)(CHH)	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C(C[6]C[6]2)(CN[5]HH)(CHH)	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C(CN[5]HH)(CHH)(H)	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(CN[5]HH)(CHH)(H)	112.1630	0.000	1	112.1630	0.000	1	112.1630	0.000	1	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.3730	0.000	1	112.3730	0.000	1	112.2817	0.178	3	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.6500	0.000	1	112.6500	0.000	1	112.2817	0.178	3	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	111.8220	0.000	1	111.8220	0.000	1	112.2817	0.178	3	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C(CN[5]HH)(NC[6a]C)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C(CN[5]HH)(NC[6a]C)(O)	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	112.8810	0.000	1	112.8810	0.000	1	112.8810	0.000	1	112.1689	0.361	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	112.0122	0.818	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	112.0122	0.818	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	3:4:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]S[5])(CC[6a]O)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(O)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[5]HH)(O)	111.6129	0.494	7	111.6129	0.244	7	111.6129	0.244	7	112.0122	0.818	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	3:4:3:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	C(CN[5]HH)(O)2	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	113.8210	1.293	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:1:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(O)2	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(O)2	113.0170	0.000	1	113.0170	0.000	1	113.0170	0.000	1	113.8210	1.293	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:Br-1:Br-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(Br)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	C(CN[5]Br2)(OC)(O)	C(N[5]C[5]2)(COO)(Br)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	C(CN[5]Br2)(OC)(O)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(CN[5]HH)(OC)(O)	113.1090	0.000	1	113.1090	0.000	1	111.9757	1.025	3	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C(CN[5]HH)(OC)(O)	111.1610	0.000	1	111.1610	0.000	1	111.9757	1.025	3	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C(CN[5]HH)(OC)(O)	111.6570	0.000	1	111.6570	0.000	1	111.9757	1.025	3	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(OC)(O)	112.7375	0.525	4	112.7375	0.276	4	112.5578	0.369	5	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(OO)(O)	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(OO)(O)	111.8390	0.000	1	111.8390	0.000	1	112.5578	0.369	5	111.9674	1.766	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]B[5]C[5])(CCH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]B[5]C[5])(CCH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C(CN[5]HH)(CHH)(H)	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:Br-1:	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(CBrC)(Br)	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(CN[5]HH)(CBrC)(Br)	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:Cl-1:	C(N[5]C[5]2)(CClC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(CClC)(Cl)	C(N[5]C[5]2)(CClC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(CN[5]HH)(CClC)(Cl)	111.2790	0.000	1	111.2790	0.000	1	111.2790	0.000	1	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	C(CN[5]HH)(CHH)(H)	112.7650	0.000	1	112.7650	0.000	1	112.5320	0.485	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C(CN[5]HH)(CCH)(H)	113.0820	0.000	1	113.0820	0.000	1	112.5320	0.485	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	C(CN[5]HH)(CHH)(H)	111.7490	0.000	1	111.7490	0.000	1	112.5320	0.485	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:I-1:	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(CCI)(I)	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|H<1>}	C(CN[5]HH)(CCI)(I)	111.1910	0.000	2	112.0898	0.579	8	112.0898	0.579	8	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:I-1:	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(CN[5]HH)(CCI)(I)	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C(CN[5]HH)(CCI)(I)	112.3893	0.617	6	112.0898	0.579	8	112.0898	0.579	8	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(NCC)(O)	112.8425	1.702	2	112.8425	2.897	2	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(NCH)(O)	114.9830	0.028	2	114.9830	0.001	2	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(CN[5]HH)(NCH)(O)	112.4270	0.000	1	112.4270	0.000	1	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	113.3800	0.000	1	113.3800	0.000	1	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	C(CN[5]HH)(NHH)(O)	113.3308	1.028	5	112.3393	2.363	20	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C(CN[5]HH)(NHH)(O)	112.0089	1.561	15	112.3393	2.363	20	112.6248	2.450	26	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CCC)(H)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(CCC)(H)	111.7920	0.000	1	111.7920	0.000	1	111.8520	0.212	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CC[6a]H)(H)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(CC[6a]H)(H)	112.3390	0.000	1	112.3390	0.000	1	111.8520	0.212	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(CHH)(H)	111.4250	0.000	1	111.4250	0.000	1	111.8520	0.212	3	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]S[5])(CNO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]S[5])(CNO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(NC[6a]H)(O)	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	112.3428	1.763	44	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:3:4:	4:4:1:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C-4:O-1:	C(N[5]C[5]S[5])(CCO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(CN[5]HH)(CH3)(O)	C(N[5]C[5]S[5])(CCO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C(CN[5]HH)(CH3)(O)	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C(CN[5]HH)(CHH)(H)	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:2:1:	4:3:4:	3:4:1:	N[5]-3:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	C(C[6a]C[6a]2)(CN[5]HO)(O)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	C(C[6a]C[6a]2)(CN[5]HO)(O)	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:2:3:	3:3:4:	4:2:1:	C[6a]-3:N[5]-3:S-2:C-3:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	N[5](C[5]C[5,6a]O)2(CC[6a]CS)	C(CC[6a]N[5]S)(OC)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a])(COO)	N[5](C[5]C[5,6a]O)2(CC[6a]CS){2|C<3>}	C(CC[6a]N[5]S)(OC)(O)	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	3:4:3:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C-4:N-3:	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6]N[5]H)(NRuH)	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:1:1:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)2(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(CN[5]2H)(O)2	C(N[5]C[5]2)2(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(O)2	112.8960	0.122	2	112.8960	0.015	2	112.8960	0.015	2	112.8960	0.015	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(OIr)(O)	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(OIr)(O)	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN)	C(CN[5]HN)(OC)(O)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	C(CN[5]HN)(OC)(O)	111.2195	0.009	2	111.2195	0.000	2	111.2195	0.000	2	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C(CN[5]2H)(OFe)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C(CN[5]2H)(OFe)(O)	112.1700	1.663	2	112.1700	2.766	2	111.5373	2.520	8	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH)	C(CN[5]2H)(ONi)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH){1|H<1>,3|C<3>}	C(CN[5]2H)(ONi)(O)	111.9257	1.744	4	111.9257	3.042	4	111.5373	2.520	8	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH)	C(CN[5]2H)(ORe)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH){1|H<1>,3|C<3>}	C(CN[5]2H)(ORe)(O)	110.1275	0.607	2	110.1275	0.369	2	111.5373	2.520	8	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(OIr)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(OIr)(O)	109.6920	0.846	2	109.6920	0.715	2	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(OMn)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(OMn)(O)	110.4360	1.334	2	110.4360	1.778	2	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(OMn)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(OMn)(O)	111.6893	1.862	4	111.6893	3.467	4	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(OMo)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(OMo)(O)	109.7045	0.720	4	109.7045	0.518	4	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(ORe)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(ORe)(O)	109.6395	0.333	2	109.6395	0.111	2	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(ORe)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(ORe)(O)	109.2113	1.486	4	109.2113	2.208	4	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(ORu)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(ORu)(O)	111.3421	1.776	30	111.3421	3.154	30	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(OTc)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(OTc)(O)	109.3585	0.165	2	109.3585	0.027	2	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(OZn)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(OZn)(O)	110.8605	1.340	2	110.8605	1.796	2	110.8203	2.959	52	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:S-2:S-1:	C(N[5]C[5]N[5])2(CSS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(SCu)(S)	C(N[5]C[5]N[5])2(CSS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(SCu)(S)	113.1410	2.973	2	113.1410	8.837	2	113.1410	8.837	2	110.9375	3.193	65	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:2:2:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-2:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH)	C(CN[5a]N[5]H)(OLi)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]N[5]H)(OLi)2	114.0195	0.801	2	114.0195	0.642	2	114.0195	0.642	2	114.0195	0.642	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(CC[6a]N[5]H)(CHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C(CC[6a]N[5]H)(CHH)(H)	111.8980	0.590	2	111.8980	0.348	2	111.8980	0.348	2	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:C-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:Cl-1:	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN)	C(CN[5]HN)(CHH)(Cl)	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN){2|H<1>}	C(CN[5]HN)(CHH)(Cl)	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	C(CC[6a]N[5]H)(NCH)(O)	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:O-3:O-1:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C(CN[5]2H)(OFe2)(O)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C(CN[5]2H)(OFe2)(O)	111.4920	0.643	2	111.4920	0.414	2	111.4920	0.414	2	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]N[5])2(CCH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(CC[6a]H)(H)	C(N[5]C[5]N[5])2(CCH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(CC[6a]H)(H)	112.6130	0.949	2	112.6130	0.900	2	112.6130	0.900	2	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(NIrC)(O)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(NIrC)(O)	111.7322	0.897	4	111.7322	0.804	4	111.7730	3.175	6	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(NCH)(O)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(NCH)(O)	111.8545	3.666	2	111.8545	13.442	2	111.7730	3.175	6	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:1:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:S-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	C(CN[5a]N[5]H)(NC[6a]Al)(S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C(CN[5a]N[5]H)(NC[6a]Al)(S)	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	112.1721	3.068	15	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:2:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:N-2:	C(N[5]C[5]N[5])2(CNN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(NMgC)(NC)	C(N[5]C[5]N[5])2(CNN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(NMgC)(NC)	113.1141	0.931	8	113.1141	0.867	8	113.1141	0.867	8	111.9973	4.102	12	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:2:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:O-2:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(CN[5]2H)(NCH)(OCu)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C(CN[5]2H)(NCH)(OCu)	110.4310	1.950	2	110.4310	3.803	2	109.7635	3.038	4	111.9973	4.102	12	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:2:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:N-3:O-2:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(CN[5]2H)(NCH)(ORe)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C(CN[5]2H)(NCH)(ORe)	109.0960	1.878	2	109.0960	3.527	2	109.7635	3.038	4	111.9973	4.102	12	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C(CC[6]N[5]H)(NRuH)(CH3)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C(CC[6]N[5]H)(NRuH)(CH3)	109.3120	0.438	2	109.3120	0.192	2	109.3120	0.192	2	109.3120	0.192	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C[3]-4:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH)	C(CC[6a]N[5]H)(C[3]C[3]2H)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH){1|C<3>}	C(CC[6a]N[5]H)(C[3]C[3]2H)(O)	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	110.9480	0.425	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	3:3:4:	4:4:1:	N[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-4:H-1:	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(CCCH)(H)	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(CCCH)(H)	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	110.9480	0.425	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	C(CC[6a]N[5]H)(NCH)(O)	108.9490	0.000	1	109.8760	1.309	4	109.8760	1.309	4	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C(CC[6a]N[5]H)(NCH)(O)	110.1850	1.179	3	109.8760	1.309	4	109.8760	1.309	4	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C(CC[6a]N[5]H)(NCH)(O)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6a]N[5]H)(NCH)(O)	110.5353	1.463	4	110.4651	2.229	7	110.4651	2.229	7	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|O<1>,2|C<3>,3|H<1>}	C(CC[6a]N[5]H)(NCH)(O)	110.3717	1.859	3	110.4651	2.229	7	110.4651	2.229	7	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:1:	N[5a]-3:N[5]-3:C-3:H-1:	S[5]-4:C[5]-3:C-4:	C-4:C[6a]-3:O-1:	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	C(CN[5a]N[5]H)(C[6a]C[6a]2)(O)	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	110.4427	2.123	13	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:4:1:	3:3:4:	3:4:1:	N[5]-3:C-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C-4:O-1:	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CN[5]CH)(O)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(N[5]C[5]2)(CN[5]CH)(O)	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:4:3:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-4:C-3:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(CH3)(COO)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC)	C(CN[5]2C)(OMn)(O)	C(N[5]C[5]N[5])2(CH3)(COO)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C(CN[5]2C)(OMn)(O)	109.2595	1.865	2	109.2595	3.477	2	109.4223	2.686	4	109.4223	2.686	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:3:4:3:	3:3:4:	4:2:1:	N[5]-3:N[5]-3:C-4:C-3:	N[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]N[5])2(CH3)(COO)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC)	C(CN[5]2C)(ORu)(O)	C(N[5]C[5]N[5])2(CH3)(COO)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C(CN[5]2C)(ORu)(O)	109.5850	2.116	2	109.5850	4.476	2	109.4223	2.686	4	109.4223	2.686	4	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:2:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:S[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]S[5])(CCCH)(COO)(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	C(CN[5]CH)(OC)(O)	107.5620	1.129	2	107.5620	1.274	2	107.5620	1.274	2	107.5620	1.274	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	3:4:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C-4:O-1:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(C[6a]C[6a]2)(CN[5]CH)(O)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CN[5]CH)(O)	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	111.6073	3.037	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	3:4:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	N-3:C-4:O-1:	C(N[5]C[5]2)(CC3)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(NC[6a]Ir)(CN[5]CH)(O)	C(N[5]C[5]2)(CC3)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(NC[6a]Ir)(CN[5]CH)(O)	112.3885	1.554	2	112.3885	2.413	2	112.3885	2.413	2	111.6073	3.037	3	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:1:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:H-1:H-1:	C(N[5]C[5]2)(CH3)(CHH)(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C(CN[5]CH)(H)2	C(N[5]C[5]2)(CH3)(CHH)(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	C(CN[5]CH)(H)2	109.0235	0.135	2	109.0235	0.018	2	109.0235	0.018	2	111.0592	1.515	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:1:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(CN[5]CH)(O)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C(CN[5]CH)(O)2	112.2310	0.000	1	111.5400	0.315	5	111.6409	0.241	7	111.0592	1.515	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:1:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(CN[5]CH)(O)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	C(CN[5]CH)(O)2	111.3672	0.470	4	111.5400	0.315	5	111.6409	0.241	7	111.0592	1.515	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:1:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-1:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5,6]O)2(CCCH)	C(CN[5]CH)(O)2	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	C(CN[5]CH)(O)2	111.8930	0.103	2	111.8930	0.011	2	111.6409	0.241	7	111.0592	1.515	9	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:F-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(F)	N[5](C[5]C[5,6a]O)2(CCCF)	C(CN[5]CF)(OC)(O)	C(N[5]C[5]2)(CCHH)(COO)(F)	N[5](C[5]C[5,6a]O)2(CCCF){2|C<3>}	C(CN[5]CF)(OC)(O)	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]CH)(OC)(O)	110.3090	0.000	1	110.3090	0.000	1	109.4762	0.444	4	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(CN[5]CH)(OC)(O)	109.2830	0.000	1	109.2830	0.000	1	109.4762	0.444	4	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]CH)(OC)(O)	109.1565	0.630	2	109.1565	0.397	2	109.4762	0.444	4	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-2:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC)(O)	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	108.9380	0.000	1	108.9380	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	C(CN[5]CH)(OC)(O)	108.0375	0.267	2	108.0375	0.071	2	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(ORh)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(ORh)(O)	113.0740	0.000	1	113.0740	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OC)(O)	109.1890	0.000	1	109.1890	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	110.9150	0.000	1	110.9150	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	C(CN[5]CH)(OC)(O)	107.7280	0.000	1	107.7280	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(OIr)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(OIr)(O)	112.9660	0.000	1	112.9660	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(ORh)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(ORh)(O)	114.3800	0.000	1	114.3800	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OC)(O)	111.0897	1.367	3	111.0897	1.870	3	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	108.6360	0.000	1	108.6360	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	C(CN[5]CH)(OC)(O)	110.3710	0.000	1	110.3710	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	C(CN[5]CH)(OC)(O)	109.5640	0.000	1	109.5640	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	C(CN[5]CH)(OC)(O)	112.3275	0.701	2	112.3275	0.491	2	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	110.2443	0.742	3	110.2443	0.551	3	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(OC)(O)	110.3480	0.000	1	110.3480	0.000	1	110.5162	3.481	21	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-2:O-1:	C(N[5]C[5]2)(CCCH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(SC[6a])(O)	C(N[5]C[5]2)(CCCH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(SC[6a])(O)	108.6540	0.000	1	108.6540	0.000	1	108.3820	0.148	2	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:S-2:O-1:	C(N[5]C[5]2)(CCHH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(SC[6a])(O)	C(N[5]C[5]2)(CCHH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(SC[6a])(O)	108.1100	0.000	1	108.1100	0.000	1	108.3820	0.148	2	110.2049	2.928	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:2:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-2:	C(N[5]C[5]2)(CC3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(ORh)2	C(N[5]C[5]2)(CC3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(ORh)2	109.8893	1.520	3	109.8893	2.310	3	111.0429	2.249	7	111.0429	2.249	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:2:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-2:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(ORh)2	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(ORh)2	111.9080	0.793	4	111.9080	0.629	4	111.0429	2.249	7	111.0429	2.249	7	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(CN[5]CH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C(CN[5]CH)(CHH)(H)	110.5420	0.240	2	110.5420	0.058	2	111.3424	2.046	8	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(CN[5]CH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]CH)(CHH)(H)	111.6092	1.585	6	111.6092	2.512	6	111.3424	2.046	8	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5,6]O)2(CCCH)	C(CN[5]CH)(CCH)(H)	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5,6]O)2(CCCH){2|C<4>,2|H<1>}	C(CN[5]CH)(CCH)(H)	113.1490	0.000	1	113.1490	0.000	1	111.3117	1.405	6	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(CHH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(CHH)(H)	110.5932	0.412	4	110.5932	0.170	4	111.3117	1.405	6	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CHHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(CHH)(H)	C(N[5]C[5]2)(CHHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(CHH)(H)	112.3480	0.000	1	112.3480	0.000	1	111.3117	1.405	6	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	108.9950	1.297	2	108.9950	1.682	2	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	108.4940	0.000	1	108.4940	0.000	1	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NHH)(O)	112.6960	0.000	1	112.6960	0.000	1	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHO)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHO)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	107.5425	0.206	2	107.5425	0.042	2	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	111.4243	2.180	6	111.4243	4.753	6	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NCH)(O)	108.9210	0.566	2	108.9210	0.320	2	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C(CN[5]CH)(NCC)(O)	108.8700	0.000	1	108.8700	0.000	1	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CHHS)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CHHS)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	110.4960	0.000	1	110.4960	0.000	1	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CPdHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NPdC)(O)	C(N[5]C[5]2)(CPdHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NPdC)(O)	110.7840	1.171	2	110.7840	1.371	2	110.0882	3.996	18	110.5655	3.311	33	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:4:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	C(CN[5]CH)(NCH)(O)	111.5090	0.000	1	112.7370	3.016	2	112.7370	3.016	2	112.7370	3.016	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	3:4:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	C(CN[5]CH)(NCH)(O)	113.9650	0.000	1	112.7370	3.016	2	112.7370	3.016	2	112.7370	3.016	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	108.7715	0.165	2	108.7715	0.027	2	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	C(CN[5]CH)(OC)(O)	109.6800	0.000	1	109.6800	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(CN[5]CH)(OH)(O)	107.5650	0.000	1	107.5650	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	C(CN[5]CH)(OC)(O)	110.7570	0.000	1	110.7570	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(CN[5]CH)(OH)(O)	111.3837	2.429	3	111.3837	5.898	3	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHO)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CCHO)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	111.5125	0.206	2	111.5125	0.042	2	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(CN[5]CH)(OC)(O)	109.8930	0.000	1	109.8930	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(CN[5]CH)(OC)(O)	109.6460	0.000	1	109.6460	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	110.2711	1.162	7	110.2711	1.351	7	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	C(CN[5]CH)(OC)(O)	111.5270	0.000	1	111.5270	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(CN[5]CH)(OH)(O)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C(CN[5]CH)(OH)(O)	107.8180	0.000	1	107.8180	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CHHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CHHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(CN[5]CH)(OC)(O)	113.9250	0.000	1	113.9250	0.000	1	110.3376	2.884	22	110.3376	2.884	22	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	C(CN[5]CH)(CCH)(H)	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	C(CN[5]CH)(CCH)(H)	108.6630	0.000	1	108.6630	0.000	1	109.8215	2.684	2	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CSiCH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(CHS)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(CN[5]CH)(CHS)(H)	110.9800	0.000	1	110.9800	0.000	1	109.8215	2.684	2	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	C(CN[5]CH)(NHH)(O)	108.1380	0.000	1	110.8376	3.883	24	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	C(CN[5]CH)(NHH)(O)	109.0345	1.044	2	110.8376	3.883	24	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C(CN[5]CH)(NHH)(O)	111.1379	1.904	21	110.8376	3.883	24	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	C(CN[5]CH)(NCH)(O)	105.7330	0.000	1	105.7330	0.000	1	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	C(CN[5]CH)(NCC)(O)	108.7110	0.000	1	108.7110	0.000	1	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:3:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CHHN)(CNO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CHHN)(CNO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(CN[5]CH)(NCH)(O)	110.5260	0.000	1	110.5260	0.000	1	110.5583	4.534	27	110.5074	4.342	29	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:3:1:	4:4:4:	4:4:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-4:H-1:	C(N[5]C[5]2)(CH3)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(CN[5]CH)(CH3)(H)	C(N[5]C[5]2)(CH3)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	C(CN[5]CH)(CH3)(H)	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	114.3460	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:4:3:	3:2:4:	4:4:3:	N[5]-3:C-4:C-4:C-3:	C[5,6a]-3:O[5]-2:C-4:	C-4:C-4:C-3:	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C(CN[5]CC)(CH3)(CHH)	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C(CN[5]CC)(CH3)(CHH)	105.6575	0.383	2	105.6575	0.146	2	105.6575	0.146	2	105.6575	0.146	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	3:4:4:3:	3:3:4:	4:2:1:	N[5]-3:C-4:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	N[5](C[5]C[5,6a]O)2(CC3)	C(CN[5]CC)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	N[5](C[5]C[5,6a]O)2(CC3){2|C<3>}	C(CN[5]CC)(OC)(O)	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	4:3:3:1:	3:3:4:	4:3:1:	C-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NC[6a]H)(O)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	107.1350	0.000	1	107.1350	0.000	1	108.7095	4.958	2	108.7095	4.958	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP2	C	N[5]	C	4:3:3:1:	3:3:4:	4:3:1:	C-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CN[5]CH)(NPdC)(O)	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C(CN[5]CH)(NPdC)(O)	110.2840	0.000	1	110.2840	0.000	1	108.7095	4.958	2	108.7095	4.958	2	111.8689	4.412	738	111.8689	4.412	738
490	542	930	0:SP3_SP2_SP3	C	N[5,5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5,5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:C-3:H-1:	C(N[5,5]C[5,5,6]2)(CCH)(H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH)	C(CN[5,5]HH)(CC[6a]H)(H)	C(N[5,5]C[5,5,6]2)(CCH)(H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH){2|H<1>,4|C<3>}	C(CN[5,5]HH)(CC[6a]H)(H)	111.2945	0.086	2	111.2945	0.007	2	111.2945	0.007	2	111.2945	0.007	2	111.2945	0.007	2	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5,6]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5,6]-3:C-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:C-3:H-1:	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	C(CN[5,6]HH)(CHH)(H)	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	C(CN[5,6]HH)(CHH)(H)	111.6197	0.765	3	111.6197	0.586	3	111.6197	0.586	3	111.6197	0.586	3	111.6197	0.586	3	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[5]HH)(NCC)(O)	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	109.2120	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	3:3:4:	4:3:4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:C-3:C-4:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C(CN[5]HH)(CRuC)(CH3)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C(CN[5]HH)(CRuC)(CH3)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	3:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C(CN[5]HH)(CHH)(H)	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:2:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:O-2:O-1:	C(N[5]C[5]O[5])(COO)(H)2	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]O[5])(COO)(H)2	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH){1|S<4>,2|C<3>,3|H<1>}	C(CN[5]HH)(OC)(O)	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:2:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:C-3:H-1:	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH)	C(CN[5]HH)(CC[6a]H)(H)	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(CN[5]HH)(CC[6a]H)(H)	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	3:4:3:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:O-2:O-1:	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C(CN[5]HH)(OH)(O)	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	C(CN[5]HH)(OH)(O)	113.7090	0.000	1	113.7090	0.000	1	113.7090	0.000	1	115.9693	3.838	3	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(CN[5]HH)(OC)(O)	117.1760	0.000	1	117.0995	0.012	2	117.0995	0.012	2	115.9693	3.838	3	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:2:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C(CN[5]HH)(OC)(O)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	C(CN[5]HH)(OC)(O)	117.0230	0.000	1	117.0995	0.012	2	117.0995	0.012	2	115.9693	3.838	3	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CN[5]HH)(CHH)(H)	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CCH)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(CN[5]HH)(CCH)(H)	112.5470	0.000	1	112.5470	0.000	1	113.4498	6.137	5	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CHI)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(CN[5]HH)(CHI)(H)	112.0800	0.000	1	112.0800	0.000	1	113.4498	6.137	5	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<4>}	C(CN[5]HH)(CHH)(H)	117.6680	0.000	1	117.6680	0.000	1	113.4498	6.137	5	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	C(CN[5]HH)(CHH)(H)	113.5190	0.000	1	113.5190	0.000	1	113.4498	6.137	5	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(CN[5]HH)(CHH)(H)	111.4350	0.000	1	111.4350	0.000	1	113.4498	6.137	5	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:C-3:I-1:	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(CCH)(I)	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C(CN[5]HH)(CCH)(I)	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(CN[5]HH)(CHH)(H)	114.3690	0.000	1	114.3690	0.000	1	115.1040	1.080	2	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	C(CN[5]HH)(CHH)(H)	115.8390	0.000	1	115.8390	0.000	1	115.1040	1.080	2	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	C(CN[5]HH)(NC[6a]H)(O)	116.4070	0.688	4	116.4070	0.473	4	116.4070	0.473	4	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:1:	N[5]-3:C-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(CN[5]HH)(CHH)(H)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C(CN[5]HH)(CHH)(H)	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	114.3454	4.621	14	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:3:3:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:C-3:C-3:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C(CN[5]HH)(CC[6a]H)(COO)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[5]HH)(CC[6a]H)(COO)	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:1:1:	4:4:4:	4:4:3:	N[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[6]-4:C-4:C-3:	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH)	C(C[6]C[6]2H)(CN[5]HH)(CCH)	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CN[5]HH)(CCH)	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:3:3:1:	4:3:4:	4:3:3:	N[5]-3:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:C-3:C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(CC[6a]N[5]H)(CCC)(COO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C(CC[6a]N[5]H)(CCC)(COO)	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:4:3:1:	3:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	C(CN[5]CH)(OC)(O)	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C(CN[5]CH)(OC)(O)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:4:3:1:	4:4:4:	4:2:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:O-2:O-1:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	C(CN[5]CH)(OC)(O)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	C(CN[5]CH)(OC)(O)	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:4:3:1:	4:4:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]HH)2(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	C(CN[5]CH)(NCH)(O)	113.2175	0.286	2	113.2175	0.082	2	112.3902	3.727	5	112.3902	3.727	5	113.2214	7.419	34	112.9994	6.821	39
490	542	930	0:SP3_SP2_SP3	C	N[5]	C	3:4:3:1:	4:4:4:	4:3:1:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:N-3:O-1:	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	C(CN[5]CH)(NCH)(O)	111.8387	2.504	3	111.8387	6.272	3	112.3902	3.727	5	112.3902	3.727	5	113.2214	7.419	34	112.9994	6.821	39
490	542	944	0:SP3_SP-NON_SP2	C	N[5]	I	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:I-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)2(I)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	I(CN[5]HH)	C(N[5]C[5]2)(H)2(I)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	I(CN[5]HH)	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1
490	542	945	0:SP3_SP2_SP3	C	N[5]	P	3:3:1:1:	3:3:4:	3:3:4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CN[5]HH)	113.1235	0.734	4	113.1235	0.538	4	113.1235	0.538	4	113.1235	0.538	4	112.1388	1.455	9	112.1388	1.455	9
490	542	945	0:SP3_SP2_SP3	C	N[5]	P	3:3:1:1:	3:4:4:	3:3:4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	P(C[6a]C[6a]2)2(CN[5]HH)	111.9185	1.061	2	111.9185	1.127	2	111.2620	0.962	4	111.2620	0.962	4	112.1388	1.455	9	112.1388	1.455	9
490	542	945	0:SP3_SP2_SP3	C	N[5]	P	3:3:1:1:	3:4:4:	3:3:4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CN[5]HH)	110.6055	0.185	2	110.6055	0.034	2	111.2620	0.962	4	111.2620	0.962	4	112.1388	1.455	9	112.1388	1.455	9
490	542	945	0:SP3_SP2_SP3	C	N[5]	P	3:3:1:1:	3:4:4:	4:4:4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:C-4:C-4:	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	P(CN[5]HH)(CC3)2	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	P(CN[5]HH)(CC3)2	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	112.1388	1.455	9	112.1388	1.455	9
490	542	951	0:SP3_SP-NON_SP2	C	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5,6]C[6a]H)	108.6795	0.054	4	108.6795	0.003	4	108.7907	0.031	6	108.7907	0.031	6	108.7907	0.031	6	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|O<2>,4|H<1>}	H(CN[5,6]C[6a]H)	109.0130	0.016	2	109.0130	0.000	2	108.7907	0.031	6	108.7907	0.031	6	108.7907	0.031	6	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-2:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5])2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5])2(CH3)	H(CN[5]HH)	109.4897	0.110	3	109.4897	0.012	3	109.4897	0.012	3	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5])(N[5]N[5])(CH3){1|Fe<6>}	H(CN[5]HH)	109.8483	1.968	3	109.8483	3.873	3	109.8483	3.873	3	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<3>,1|S<2>}	H(CN[5]HH)	109.4563	0.024	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4753	0.017	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Cr<6>,1|C<4>}	H(CN[5]HH)	107.5207	1.286	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	108.3243	2.330	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>}	H(CN[5]HH)	109.4670	0.025	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>}	H(CN[5]HH)	109.4583	0.048	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>}	H(CN[5]HH)	109.4900	0.004	2	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Mo<9>,1|C<4>}	H(CN[5]HH)	109.4733	0.022	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ni<6>,1|N<2>}	H(CN[5]HH)	109.4910	0.041	2	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	2:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]2)(H)3	N[5](N[5]C[5])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>}	H(CN[5]HH)	109.4843	0.048	3	109.1407	0.981	28	109.1407	0.981	28	109.2340	1.086	34	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6]N[5])(H)3	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]N[5])(H)3	N[5](C[5,6]N[5,6]S[6])(N[5]N[5])(CH3){2|C<4>}	H(CN[5]HH)	109.4800	0.051	3	109.4800	0.003	3	109.4800	0.003	3	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4503	0.024	3	109.4831	0.008	25	109.4831	0.008	25	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4876	0.097	22	109.4831	0.008	25	109.4831	0.008	25	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:S[5]-2:C-4:	C-4:	C(N[5]C[5,6a]S[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]S[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4320	0.026	3	109.4320	0.001	3	109.4320	0.001	3	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]Se[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4630	0.057	2	109.4630	0.003	2	109.4756	0.001	10	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]Se[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4787	0.019	8	109.4787	0.000	8	109.4756	0.001	10	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5])(CH3){2|C<4>}	H(CN[5]HH)	109.4730	0.007	2	109.4730	0.000	2	109.6622	2.914	11	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|C<2>}	H(CN[5]HH)	109.1707	0.072	3	109.8057	5.772	6	109.6622	2.914	11	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|Mo<7>,1|H<1>}	H(CN[5]HH)	110.4407	3.635	3	109.8057	5.772	6	109.6622	2.914	11	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]C)(C[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]C)(C[5]C[5])(CH3){1|Cu<4>}	H(CN[5]HH)	109.5013	0.043	3	109.5013	0.002	3	109.6622	2.914	11	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3){1|C<4>,2|C<3>}	H(CN[5]HH)	109.4682	0.033	6	109.4682	0.001	6	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<2>,1|C<3>,1|N<3>}	H(CN[5]HH)	109.1132	1.281	6	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4937	0.045	3	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4606	0.031	5	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4647	0.042	6	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|H<1>,3|C<4>}	H(CN[5]HH)	109.4590	0.019	3	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	H(CN[5]HH)	109.4450	0.046	3	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|Pd<4>,3|C<4>}	H(CN[5]HH)	109.4730	0.066	11	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4500	0.022	3	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4908	0.044	13	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4483	0.041	4	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4780	0.037	7	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4710	0.006	2	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4844	0.023	5	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4304	0.046	5	109.4415	0.121	76	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4829	0.029	17	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.5183	0.470	43	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4619	0.044	26	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<4>,1|C<3>}	H(CN[5]HH)	109.4766	0.023	5	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ni<7>,1|C<3>}	H(CN[5]HH)	109.4790	0.011	2	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<3>}	H(CN[5]HH)	109.4866	0.047	24	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.3995	0.142	13	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Pd<5>,1|C<3>}	H(CN[5]HH)	109.4625	0.049	6	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>}	H(CN[5]HH)	109.4650	0.055	10	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<7>,1|C<3>}	H(CN[5]HH)	109.4707	0.017	3	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Rh<8>,1|C<3>}	H(CN[5]HH)	109.4560	0.030	8	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	H(CN[5]HH)	109.4817	0.037	6	109.4791	0.061	163	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]Se[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]Se[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4791	0.039	7	109.4791	0.002	7	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4915	0.011	2	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4680	0.028	7	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<2>}	H(CN[5]HH)	109.4906	0.050	7	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4740	0.038	9	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4593	0.058	3	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4915	0.094	6	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4628	0.059	10	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|O<2>,3|C<4>}	H(CN[5]HH)	109.4305	0.050	6	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Re<6>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4553	0.037	3	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4320	0.019	3	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4696	0.019	8	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4853	0.048	3	109.4682	0.002	67	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<2>,1|C<3>}	H(CN[5]HH)	109.4590	0.021	2	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4775	0.033	19	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4595	0.006	2	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4545	0.004	4	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Fe<6>,1|C<3>}	H(CN[5]HH)	109.4664	0.042	16	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4767	0.026	12	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>}	H(CN[5]HH)	109.4480	0.000	1	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Re<6>,1|C<3>}	H(CN[5]HH)	109.4627	0.061	3	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CH3){2|C<4>}	H(CN[5]HH)	109.4898	0.010	4	109.4715	0.001	63	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]O[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]O[5])(CH3){1|N<3>}	H(CN[5]HH)	109.4731	0.015	8	109.4731	0.000	8	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4780	0.020	8	109.4780	0.000	8	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4744	0.013	5	109.4744	0.000	5	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4497	0.021	6	109.7066	0.605	18	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	110.8897	1.618	3	109.7066	0.605	18	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,2|C<4>}	H(CN[5]HH)	109.4780	0.021	6	109.7066	0.605	18	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|N<2>,1|N<3>}	H(CN[5]HH)	109.4947	0.017	3	109.7066	0.605	18	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]N[5])(CH3){1|Ru<9>,1|C<3>}	H(CN[5]HH)	109.4434	0.049	5	109.4434	0.002	5	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4817	0.013	6	109.4817	0.000	6	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4647	0.031	6	109.4680	0.001	10	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4730	0.036	4	109.4680	0.001	10	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>,1|N<3>}	H(CN[5]HH)	109.4227	0.039	3	109.4227	0.002	3	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4667	0.016	4	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4237	0.576	27	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	H(CN[5]HH)	109.3111	0.457	21	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4735	0.023	2	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Cu<2>,3|C<3>}	H(CN[5]HH)	109.4703	0.043	12	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4734	0.033	8	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	H(CN[5]HH)	107.9070	1.109	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4495	0.026	2	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4413	0.082	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.5028	0.034	5	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Mo<5>,3|C<3>}	H(CN[5]HH)	109.4677	0.066	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4730	0.000	1	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<4>,3|C<3>}	H(CN[5]HH)	109.4538	0.020	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4638	0.020	4	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ni<7>,3|C<3>}	H(CN[5]HH)	109.4410	0.034	2	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Os<9>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.5793	0.149	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<2>,2|C<3>}	H(CN[5]HH)	109.4518	0.053	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4685	0.042	56	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pd<4>,3|C<3>}	H(CN[5]HH)	109.4705	0.066	19	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4695	0.019	2	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<6>,3|C<3>}	H(CN[5]HH)	109.4670	0.019	5	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Rh<8>,3|C<3>}	H(CN[5]HH)	109.4677	0.071	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<5>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4628	0.033	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<6>,3|C<3>}	H(CN[5]HH)	109.4617	0.035	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4630	0.039	24	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Ru<9>,3|C<3>}	H(CN[5]HH)	109.4802	0.046	17	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	H(CN[5]HH)	109.4843	0.027	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	H(CN[5]HH)	109.4345	0.064	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.3107	0.195	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	H(CN[5]HH)	109.5297	0.023	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.5790	0.230	3	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	H(CN[5]HH)	109.4747	0.048	6	109.4184	0.126	274	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]N[5])(N[5]N[5])(CH3){1|Re<6>,2|C<3>}	H(CN[5]HH)	109.4641	0.046	11	109.4641	0.002	11	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]P[5])(N[5]C[5])(CH3){3|C<3>}	H(CN[5]HH)	109.4803	0.029	3	109.4803	0.001	3	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]B)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]B)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	111.8210	1.570	3	111.8210	2.466	3	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|B<6>}	H(CN[5]HH)	109.4500	0.013	2	109.4683	0.002	19	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Cu<4>}	H(CN[5]HH)	109.4852	0.066	5	109.4683	0.002	19	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|N<3>}	H(CN[5]HH)	109.4668	0.042	9	109.4683	0.002	19	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]C)(N[5]N[5])(CH3){1|Ru<8>}	H(CN[5]HH)	109.4570	0.053	3	109.4683	0.002	19	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Cr)(N[5]N[5])(CH3){1|C<4>}	H(CN[5]HH)	110.0060	1.432	8	110.0060	2.051	8	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Fe)(N[5]C[5])(CH3){1|H<1>,1|N<2>}	H(CN[5]HH)	109.4654	0.032	5	109.4654	0.001	5	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4950	0.033	3	109.5619	7.694	30	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4693	0.044	3	109.5619	7.694	30	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.8931	3.909	15	109.5619	7.694	30	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3){1|Ru<6>,1|H<1>}	H(CN[5]HH)	109.4680	0.028	7	109.5619	7.694	30	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CH3){2|H<1>}	H(CN[5]HH)	107.6455	0.367	2	109.5619	7.694	30	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Fe<6>}	H(CN[5]HH)	108.8983	2.846	57	108.9268	7.702	60	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CH3){1|Zn<6>}	H(CN[5]HH)	109.4687	0.076	3	108.9268	7.702	60	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4698	0.034	8	109.4698	0.001	8	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]N[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4557	0.030	11	109.4557	0.001	11	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Mg)(N[5]C[5])(CH3){1|Mg<4>,1|H<1>}	H(CN[5]HH)	109.4775	0.025	2	109.4775	0.001	2	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Mo)(N[5]N[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4320	0.014	3	109.4320	0.000	3	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4650	0.015	7	109.3075	2.496	25	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|H<1>}	H(CN[5]HH)	109.4607	0.011	3	109.3075	2.496	25	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]N)(N[5]N[5])(CH3){1|N<3>}	H(CN[5]HH)	109.2033	2.061	15	109.3075	2.496	25	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4531	0.040	9	109.4556	0.002	12	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4630	0.046	3	109.4556	0.002	12	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4357	0.047	3	109.4448	0.001	6	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pt)(N[5]C[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4540	0.032	3	109.4448	0.001	6	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4746	0.027	5	109.4656	0.001	32	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4640	0.037	27	109.4656	0.001	32	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]N[5])(CH3){1|C<4>}	H(CN[5]HH)	109.4807	0.028	6	109.4807	0.001	6	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ru)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4742	0.056	5	109.4742	0.003	5	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4327	0.051	3	109.4584	0.002	7	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]C[5])(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4778	0.034	4	109.4584	0.002	7	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]H)(N[5]C[5])(CH3){1|N<3>}	H(CN[5]HH)	109.4888	0.029	4	109.4888	0.001	4	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]S)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]S[5]S)(N[5]C[5])(CH3){1|S<2>}	H(CN[5]HH)	109.4562	0.038	5	109.4562	0.001	5	109.4354	0.874	984	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	H(CN[5]HH)	109.4683	0.059	6	109.4683	0.003	6	109.4683	0.003	6	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[5]O)(S[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[5]O)(S[5]C[5])(CH3){2|H<1>}	H(CN[5]HH)	109.4405	0.013	2	109.4405	0.000	2	109.4405	0.000	2	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:2:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:	C-4:	C(N[5]N[5]O[5])(H)3	N[5](N[5]C[5]O)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]N[5]O[5])(H)3	N[5](N[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>}	H(CN[5]HH)	108.4420	1.899	3	108.4420	3.605	3	108.4420	3.605	3	109.4368	0.859	1047	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:Cl-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(Cl)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	H(CN[5]ClH)	C(N[5]C[5,6a]C[5])(Cl)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	H(CN[5]ClH)	109.2195	0.012	2	109.2195	0.000	2	109.2195	0.000	2	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:F-1:F-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(F)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	H(CN[5]FF)	C(N[5]C[5]2)(F)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	H(CN[5]FF)	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(CH3){6|C<3>}	H(CN[5]HH)	109.4933	0.013	3	109.4933	0.000	3	109.4933	0.000	3	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4680	0.028	2	109.4680	0.001	2	109.4680	0.001	2	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	H(CN[5]HH)	109.4513	0.086	3	109.4557	0.007	6	109.4557	0.007	6	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	H(CN[5]HH)	109.4600	0.097	3	109.4557	0.007	6	109.4557	0.007	6	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,5]N[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]N[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	110.1997	1.833	3	110.1997	3.359	3	110.1997	3.359	3	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(H)3	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5,5a]C[5])(H)3	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(CN[5]HH)	109.4725	0.015	2	109.4725	0.000	2	109.4725	0.000	2	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-3:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5,6a])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4710	0.015	3	109.4710	0.000	3	109.4710	0.000	3	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4557	0.020	3	109.4557	0.000	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3){1|Pt<4>,1|O<1>,2|N<3>}	H(CN[5]HH)	109.4393	0.036	3	109.4393	0.001	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){2|C<3>}	H(CN[5]HH)	113.4883	3.561	3	113.4883	12.680	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CN[5]HH)	108.9920	2.752	3	108.9920	7.572	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pd<4>,2|C<3>}	H(CN[5]HH)	109.4507	0.058	3	109.4630	3.300	31	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	H(CN[5]HH)	109.4828	0.055	10	109.4630	3.300	31	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	H(CN[5]HH)	109.4541	2.413	18	109.4630	3.300	31	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])(CH3){1|B<4>,4|C<3>}	H(CN[5]HH)	109.4647	0.022	3	109.4647	0.000	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4710	0.004	2	109.4710	0.000	2	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(CN[5]HH)	109.4780	0.032	3	109.4786	0.001	5	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	H(CN[5]HH)	109.4795	0.008	2	109.4786	0.001	5	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4652	0.030	12	109.4652	0.001	12	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>}	H(CN[5]HH)	109.4523	0.046	9	109.4523	0.002	9	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]S[6])(C[5]N[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.4970	0.037	3	109.4970	0.001	3	109.6020	2.465	77	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6]N[5])(H)3	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]N[5])(H)3	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4917	0.055	3	109.4917	0.003	3	109.4917	0.003	3	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a,6a]C[5])(H)3	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a,6a]C[5])(H)3	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4772	0.021	4	109.4772	0.000	4	109.4772	0.000	4	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4787	0.053	6	109.4787	0.003	6	109.4614	0.002	11	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	H(CN[5]HH)	109.4445	0.008	2	109.4445	0.000	2	109.4614	0.002	11	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3){1|Cu<5>,1|H<1>,1|N<2>,3|C<3>}	H(CN[5]HH)	109.4380	0.018	3	109.4380	0.000	3	109.4614	0.002	11	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.5085	0.032	4	109.5085	0.001	4	109.4862	0.002	10	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4653	0.060	3	109.4653	0.004	3	109.4862	0.002	10	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4773	0.015	3	109.4773	0.000	3	109.4862	0.002	10	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4585	0.022	4	109.4585	0.000	4	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4860	0.028	6	109.4860	0.001	6	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4872	0.026	5	109.4872	0.001	5	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4507	0.033	7	109.4611	0.001	12	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4756	0.028	5	109.4611	0.001	12	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4797	0.032	12	109.4772	0.001	15	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|N<3>,3|C<3>}	H(CN[5]HH)	109.4673	0.026	3	109.4772	0.001	15	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4842	0.033	5	109.4842	0.001	5	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4790	0.017	5	109.4790	0.000	5	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4610	0.032	4	109.4610	0.001	4	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4960	0.043	5	109.4737	0.001	50	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4480	0.017	3	109.4737	0.001	50	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4616	0.022	5	109.4737	0.001	50	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4718	0.034	12	109.4737	0.001	50	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4756	0.028	25	109.4737	0.001	50	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4770	0.023	3	109.4770	0.001	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4565	0.030	2	109.4565	0.001	2	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4710	0.014	7	109.4710	0.000	7	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.4884	0.042	16	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4697	0.034	94	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4723	0.036	87	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4758	0.037	80	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4800	0.025	3	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4460	0.006	2	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	H(CN[5]HH)	109.4520	0.040	2	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4440	0.032	5	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CN[5]HH)	109.4780	0.032	3	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4664	0.040	17	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]HH)	109.4715	0.035	21	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4740	0.033	82	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4686	0.032	5	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4893	0.041	6	109.4728	0.001	423	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4700	0.054	3	109.4700	0.003	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|Br<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4960	0.026	3	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.4811	0.049	7	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4709	0.037	16	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.5228	1.241	27	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4669	0.032	47	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	H(CN[5]HH)	109.5243	0.035	3	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4570	0.039	3	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.8348	0.863	16	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4712	0.020	5	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4800	0.067	32	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4783	0.047	11	109.5161	0.315	170	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4513	0.044	3	109.4513	0.002	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|F<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4688	0.033	6	109.4789	0.048	132	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4720	0.031	6	109.4789	0.048	132	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4792	0.233	117	109.4789	0.048	132	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4993	0.012	3	109.4789	0.048	132	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Al<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4710	0.031	6	109.4791	0.001	10	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Ga<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4912	0.034	4	109.4791	0.001	10	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4765	0.008	2	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4780	0.018	3	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4847	0.029	4	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4920	0.026	3	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]HH)	109.4690	0.004	2	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CN[5]HH)	109.4440	0.011	2	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4920	0.021	3	109.4792	0.001	19	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4713	0.045	13	109.4853	0.002	26	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	H(CN[5]HH)	109.5138	0.062	5	109.4853	0.002	26	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4788	0.021	5	109.4853	0.002	26	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.5093	0.054	3	109.4853	0.002	26	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4525	0.062	2	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4380	0.040	5	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4910	0.030	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4693	0.011	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4740	0.055	33	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4660	0.012	4	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4703	0.041	78	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4186	1.058	72	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(CN[5]HH)	109.4815	0.039	6	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.5383	0.471	75	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.4744	0.036	5	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.5101	1.300	53	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	H(CN[5]HH)	109.4783	0.031	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Cl<1>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.5010	0.006	2	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|F<1>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4800	0.013	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.5005	0.325	44	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4660	0.013	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CN[5]HH)	109.4667	0.048	6	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4903	0.017	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4772	0.062	9	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4650	1.504	27	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]HH)	109.3118	0.769	26	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CN[5]HH)	109.4777	0.037	6	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.6373	1.215	58	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.3934	1.020	82	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4652	0.044	19	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4720	0.020	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	H(CN[5]HH)	109.4230	0.014	3	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	H(CN[5]HH)	109.4900	0.025	6	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	H(CN[5]HH)	109.4745	0.025	2	109.4767	0.675	644	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4548	0.050	5	109.4548	0.002	5	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4765	0.042	6	109.4765	0.002	6	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4583	0.026	8	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4593	0.023	3	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4524	0.046	5	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4752	0.048	5	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4665	0.199	19	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4788	0.025	9	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4635	0.036	14	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.5141	0.465	39	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4647	0.079	3	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4802	0.019	6	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4783	0.039	7	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.5773	0.284	6	109.4877	0.077	124	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CN[5]HH)	109.4623	0.022	3	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4698	0.042	12	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Co<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4760	0.048	6	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Cu<5>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4397	0.034	3	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Fe<5>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4540	0.039	3	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ir<6>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4970	0.427	23	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Mn<5>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4518	0.038	6	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4721	0.045	11	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	H(CN[5]HH)	109.4888	0.033	5	109.4770	0.058	72	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4470	0.048	2	109.4470	0.002	2	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4689	0.024	26	109.4689	0.001	26	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ag<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4621	0.051	16	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4709	0.038	92	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.7157	1.586	21	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	H(CN[5]HH)	110.5707	1.634	6	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4557	0.053	25	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4868	0.035	6	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4708	0.050	40	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4817	0.687	6	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4675	0.303	22	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4708	0.018	5	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.5032	0.163	18	109.5171	0.300	257	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.5062	0.043	4	109.5062	0.002	4	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4708	0.043	31	109.4708	0.002	31	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4690	0.033	9	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.5124	0.207	48	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5]HH)	107.1446	3.311	8	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|N<3>}	H(CN[5]HH)	109.5025	0.039	4	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4460	0.023	5	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4942	0.043	6	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4885	0.035	4	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<5>,1|O<1>,2|N<3>}	H(CN[5]HH)	111.3692	8.381	6	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5]HH)	109.4647	0.019	11	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4690	0.011	2	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	H(CN[5]HH)	109.6721	0.450	12	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4942	0.036	10	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Os<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4794	0.016	5	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5]HH)	109.4793	0.028	11	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Re<6>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5]HH)	109.4486	0.038	7	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	111.1130	1.558	5	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<4>,1|N<3>,2|N<2>}	H(CN[5]HH)	109.3567	1.807	3	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4787	0.031	3	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4340	0.074	2	109.5040	3.296	161	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4575	0.188	46	109.4712	0.018	97	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4821	0.043	48	109.4712	0.018	97	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.5087	0.018	3	109.4712	0.018	97	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4787	0.027	3	109.4787	0.001	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4797	0.034	10	109.4737	0.001	16	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|H<1>,1|S<4>,2|C<3>}	H(CN[5]HH)	109.4787	0.047	3	109.4737	0.001	16	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4490	0.032	3	109.4737	0.001	16	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4638	0.042	15	109.4651	0.002	35	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4674	0.041	16	109.4651	0.002	35	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4608	0.027	4	109.4651	0.002	35	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4685	0.046	11	109.4685	0.002	11	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4674	0.046	30	109.4674	0.002	30	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4737	0.035	33	109.4737	0.001	33	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4408	1.331	90	109.4316	1.323	128	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4099	0.525	38	109.4316	1.323	128	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	108.9673	1.432	24	109.1097	1.530	33	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CN[5]HH)	109.4677	0.031	3	109.1097	1.530	33	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|O<1>,2|N<3>}	H(CN[5]HH)	109.4980	0.018	3	109.1097	1.530	33	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.5027	0.030	3	109.1097	1.530	33	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4729	0.025	8	109.4729	0.001	8	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4820	0.036	12	109.4735	0.001	15	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|O<1>,2|N<3>}	H(CN[5]HH)	109.4393	0.024	3	109.4735	0.001	15	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4690	0.045	6	109.4774	0.003	25	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4957	0.065	10	109.4774	0.003	25	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4626	0.031	9	109.4774	0.003	25	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4735	0.047	21	109.4702	0.002	29	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4697	0.033	3	109.4702	0.002	29	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4566	0.046	5	109.4702	0.002	29	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4606	0.154	21	109.4709	0.013	43	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4808	0.052	22	109.4709	0.013	43	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4835	0.009	2	109.4835	0.000	2	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.5688	0.727	53	109.5688	0.528	53	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4790	0.036	13	109.4790	0.001	13	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.2609	0.811	17	109.2609	0.657	17	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4810	0.115	6	109.4810	0.013	6	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	H(CN[5]HH)	109.4460	0.087	3	109.4460	0.008	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	H(CN[5]HH)	111.7874	4.194	8	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4780	0.019	3	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	112.3750	2.027	3	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<6>,2|C<3>}	H(CN[5]HH)	109.5042	0.021	4	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<8>,2|C<3>}	H(CN[5]HH)	109.4210	0.027	2	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Os<9>,2|C<3>}	H(CN[5]HH)	109.4700	0.034	3	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	H(CN[5]HH)	109.4769	0.049	27	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	H(CN[5]HH)	109.4673	0.055	3	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4980	0.056	3	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	H(CN[5]HH)	109.4738	0.028	6	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	H(CN[5]HH)	109.4581	0.022	12	109.8411	2.597	74	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|C<4>}	H(CN[5]HH)	109.4937	0.010	3	109.4937	0.000	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3){2|C<3>,2|C<4>}	H(CN[5]HH)	109.4350	0.017	3	109.4350	0.000	3	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4870	0.013	4	109.4870	0.000	4	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4780	0.013	2	109.4780	0.000	2	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Pd<4>,3|C<3>}	H(CN[5]HH)	109.4748	0.062	8	109.4748	0.004	8	109.4867	0.538	2930	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	105.1987	1.028	3	108.5581	3.479	14	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4720	0.061	8	108.5581	3.479	14	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4807	0.011	3	108.5581	3.479	14	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4590	0.000	1	109.4590	0.000	1	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	H(CN[5]HH)	109.4873	0.046	3	109.4873	0.002	3	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4833	0.028	3	109.4833	0.001	3	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4757	0.115	3	109.4757	0.013	3	108.9422	2.184	24	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4488	0.016	6	109.4488	0.000	6	109.4488	0.000	6	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5]-3:C-4:	C-4:	C(N[5]C[5,6a]P[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4680	0.045	3	109.4680	0.002	3	109.4680	0.002	3	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	H(CN[5]HH)	109.4718	0.036	4	109.4718	0.001	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	H(CN[5]HH)	109.4604	0.022	5	109.4604	0.000	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4660	0.030	4	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4693	0.028	4	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[5]HH)	109.4693	0.030	3	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	H(CN[5]HH)	109.4784	0.021	5	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	H(CN[5]HH)	109.4720	0.011	3	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,3|C<4>}	H(CN[5]HH)	109.4947	0.069	6	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4600	0.019	4	109.4747	0.001	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[5]HH)	109.4703	0.045	6	109.4703	0.002	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	H(CN[5]HH)	109.4773	0.039	7	109.4773	0.002	7	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4717	0.031	15	109.4745	0.001	25	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4787	0.033	10	109.4745	0.001	25	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	H(CN[5]HH)	109.4636	0.022	5	109.4752	0.001	20	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4791	0.024	15	109.4752	0.001	20	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[5]HH)	109.4730	0.025	4	109.4730	0.001	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	H(CN[5]HH)	109.4572	0.037	5	109.4572	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	H(CN[5]HH)	109.3290	0.474	10	109.3290	0.225	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	H(CN[5]HH)	109.4258	1.416	12	109.4448	1.051	22	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	H(CN[5]HH)	109.4552	0.029	5	109.4448	1.051	22	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	H(CN[5]HH)	109.4800	0.028	5	109.4448	1.051	22	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,1|I<1>,2|C<4>}	H(CN[5]HH)	108.7953	0.612	3	109.3466	0.126	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4832	0.060	5	109.3466	0.126	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4557	0.023	3	109.3466	0.126	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	H(CN[5]HH)	109.4754	0.020	5	109.3466	0.126	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]O)2(CH3){1|C<3>,2|C<4>}	H(CN[5]HH)	109.4553	0.081	6	109.4553	0.007	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	H(CN[5]HH)	109.4707	0.013	4	109.4707	0.000	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CH3){4|C<4>}	H(CN[5]HH)	109.4720	0.029	8	109.4720	0.001	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3){1|C<4>,2|C<3>}	H(CN[5]HH)	109.5010	0.044	3	109.5010	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,1|C<3>,1|C<4>}	H(CN[5]HH)	109.5040	0.031	2	109.4699	0.002	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]O)2(CH3){2|Cl<1>,2|C<4>}	H(CN[5]HH)	109.4585	0.045	6	109.4699	0.002	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3){1|C<3>,1|C<4>,2|N<3>}	H(CN[5]HH)	109.4757	0.011	3	109.1191	0.831	47	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3){2|Br<1>,2|C<4>}	H(CN[5]HH)	109.5333	0.098	3	109.1191	0.831	47	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.0627	0.964	41	109.1191	0.831	47	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3){1|C<4>,1|O<2>}	H(CN[5]HH)	109.4413	0.015	3	109.4413	0.000	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	H(CN[5]HH)	109.4722	0.018	5	109.4722	0.000	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(CN[5]HH)	109.4650	0.052	3	109.4470	0.225	21	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[5]HH)	109.4826	0.020	5	109.4470	0.225	21	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CN[5]HH)	109.3912	0.944	6	109.4470	0.225	21	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.4617	0.025	7	109.4470	0.225	21	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4560	0.034	2	109.4756	0.001	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	H(CN[5]HH)	109.4822	0.025	6	109.4756	0.001	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CN[5]HH)	109.4720	0.027	3	109.4720	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4855	0.008	2	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[5]HH)	109.4950	0.025	3	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CN[5]HH)	109.4754	0.052	5	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CN[5]HH)	109.4792	0.030	18	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|S<2>,2|H<1>}	H(CN[5]HH)	109.4957	0.046	3	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.2472	1.005	37	109.3543	0.558	68	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5a]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5a]O)2(CH3){2|C<3>}	H(CN[5]HH)	109.4642	0.099	12	109.4642	0.010	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.5062	0.500	40	109.5062	0.250	40	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4660	0.020	2	109.4660	0.000	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4730	0.027	3	109.4730	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4868	0.030	5	109.4868	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.5013	0.123	3	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4597	0.031	8	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4797	0.031	11	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.4991	1.036	163	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){2|S<2>}	H(CN[5]HH)	109.4860	0.021	3	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)2(CH3){2|Se<2>}	H(CN[5]HH)	109.4763	0.036	3	109.4958	0.916	191	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){1|C<3>,1|N<2>}	H(CN[5]HH)	109.4897	0.048	3	109.5219	0.437	28	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	H(CN[5]HH)	109.5258	0.701	25	109.5219	0.437	28	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	H(CN[5]HH)	109.4632	0.031	9	109.4632	0.001	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	H(CN[5]HH)	109.4593	0.050	3	109.4593	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3){2|C<3>}	H(CN[5]HH)	109.4754	0.035	12	109.4754	0.001	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3){2|C<3>}	H(CN[5]HH)	109.4947	0.012	3	109.4947	0.000	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	H(CN[5]HH)	109.4362	0.431	32	109.4362	0.185	32	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3){1|Br<1>,1|C<4>}	H(CN[5]HH)	109.4894	0.065	10	109.4894	0.004	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3){1|Br<1>,1|H<1>}	H(CN[5]HH)	109.4880	0.031	3	109.4880	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3){1|Br<1>,1|C<4>}	H(CN[5]HH)	109.4902	0.046	6	109.4902	0.002	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|Al<4>,1|H<1>}	H(CN[5]HH)	109.4520	0.034	3	109.4520	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CN[5]HH)	109.4770	0.030	3	109.4702	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|Re<5>,1|C<3>}	H(CN[5]HH)	109.4633	0.030	3	109.4702	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	H(CN[5]HH)	109.5174	0.485	66	109.5174	0.235	66	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4710	0.037	2	109.4705	0.229	53	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4713	0.520	45	109.4705	0.229	53	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|H<1>}	H(CN[5]HH)	109.4647	0.030	6	109.4705	0.229	53	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|B<4>,1|C<4>}	H(CN[5]HH)	109.4807	0.022	3	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4623	0.044	17	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	107.4197	1.830	3	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4647	0.032	3	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	H(CN[5]HH)	109.4825	0.035	2	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	H(CN[5]HH)	109.3353	0.074	3	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	H(CN[5]HH)	107.4808	3.357	18	108.6037	5.112	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	H(CN[5]HH)	109.4659	0.038	40	109.4659	0.001	40	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	H(CN[5]HH)	109.4588	0.019	5	109.4588	0.000	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	H(CN[5]HH)	109.4693	0.030	65	109.4693	0.001	65	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	H(CN[5]HH)	109.4686	0.042	18	109.4686	0.002	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|H<1>}	H(CN[5]HH)	109.4523	0.033	3	109.4523	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|C<4>}	H(CN[5]HH)	109.4795	0.008	2	109.4754	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|H<1>}	H(CN[5]HH)	109.4727	0.034	3	109.4754	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|C<3>}	H(CN[5]HH)	109.4737	0.015	3	109.4680	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	H(CN[5]HH)	109.4659	0.027	8	109.4680	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3){2|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4123	0.047	3	109.4123	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	108.4835	0.741	6	108.4835	0.549	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	109.4940	0.206	6	109.4940	0.042	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	109.4725	0.023	6	109.4725	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	109.8931	1.099	17	109.8931	1.209	17	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	109.4760	0.034	3	109.4760	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.5210	0.792	135	109.5195	0.592	143	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4935	0.014	8	109.5195	0.592	143	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Al<4>,1|H<1>}	H(CN[5]HH)	109.4710	0.027	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4902	0.051	5	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4562	0.197	261	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<4>,1|H<1>}	H(CN[5]HH)	109.4707	0.038	11	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<5>,1|H<1>}	H(CN[5]HH)	109.4700	0.021	4	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	H(CN[5]HH)	109.4639	0.033	18	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<5>,1|H<1>}	H(CN[5]HH)	109.4355	0.005	2	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<6>,1|H<1>}	H(CN[5]HH)	108.2473	0.887	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	H(CN[5]HH)	109.4864	0.037	17	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	H(CN[5]HH)	109.9680	1.430	9	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>}	H(CN[5]HH)	109.5074	0.070	12	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	H(CN[5]HH)	109.6507	0.472	22	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<4>,1|H<1>}	H(CN[5]HH)	109.4711	0.015	8	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<5>,1|H<1>}	H(CN[5]HH)	109.5904	0.390	16	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	H(CN[5]HH)	109.3961	0.328	108	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>}	H(CN[5]HH)	109.4822	0.026	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<8>,1|H<1>}	H(CN[5]HH)	109.4886	0.046	16	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|P<4>}	H(CN[5]HH)	109.5080	0.000	1	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<6>,1|H<1>}	H(CN[5]HH)	109.4750	0.035	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<3>}	H(CN[5]HH)	109.4467	0.024	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4586	0.111	12	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	H(CN[5]HH)	109.4760	0.048	16	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>}	H(CN[5]HH)	109.4617	0.049	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Li<7>,1|H<1>}	H(CN[5]HH)	109.4835	0.029	2	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>}	H(CN[5]HH)	109.3840	0.327	26	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<8>,1|H<1>}	H(CN[5]HH)	109.4677	0.034	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<6>,1|H<1>}	H(CN[5]HH)	109.7520	0.834	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<8>,1|H<1>}	H(CN[5]HH)	109.4773	0.033	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	H(CN[5]HH)	109.4854	0.049	24	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	H(CN[5]HH)	109.4736	0.070	7	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pd<4>,1|H<1>}	H(CN[5]HH)	109.4936	0.035	5	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pt<4>,1|H<1>}	H(CN[5]HH)	109.4275	0.013	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	H(CN[5]HH)	109.4684	0.053	16	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<4>,1|H<1>}	H(CN[5]HH)	109.4750	0.026	5	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<6>,1|H<1>}	H(CN[5]HH)	109.4847	0.027	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<8>,1|C<3>}	H(CN[5]HH)	109.4725	0.037	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<5>,1|H<1>}	H(CN[5]HH)	109.4517	0.019	6	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	H(CN[5]HH)	109.4517	0.012	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<9>,1|C<3>}	H(CN[5]HH)	109.4553	0.020	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Sn<5>,1|H<1>}	H(CN[5]HH)	109.4845	0.005	2	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	H(CN[5]HH)	109.4656	0.393	37	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<5>,1|H<1>}	H(CN[5]HH)	109.5156	0.036	5	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<6>,1|H<1>}	H(CN[5]HH)	109.5000	0.055	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4657	0.056	3	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	H(CN[5]HH)	109.5318	2.041	40	109.4632	0.304	782	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Al<4>,1|H<1>}	H(CN[5]HH)	109.4675	0.009	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	H(CN[5]HH)	109.5125	1.046	36	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,2|H<1>}	H(CN[5]HH)	109.5255	0.037	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<5>,1|H<1>}	H(CN[5]HH)	109.4665	0.041	4	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<2>,1|H<1>}	H(CN[5]HH)	109.5130	0.013	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4554	0.217	117	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4738	0.755	1344	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	H(CN[5]HH)	109.4628	0.054	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>}	H(CN[5]HH)	110.3057	2.950	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<4>,1|H<1>}	H(CN[5]HH)	109.4628	0.062	11	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	H(CN[5]HH)	109.4877	0.020	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<5>,1|H<1>}	H(CN[5]HH)	109.4633	0.042	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	H(CN[5]HH)	109.5041	0.310	40	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<3>,1|H<1>}	H(CN[5]HH)	109.4470	0.035	10	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>}	H(CN[5]HH)	109.4403	0.014	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<5>,1|H<1>}	H(CN[5]HH)	109.4493	0.073	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<6>,1|H<1>}	H(CN[5]HH)	109.4751	0.040	7	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<4>,1|H<1>}	H(CN[5]HH)	109.4932	0.035	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<5>,1|H<1>}	H(CN[5]HH)	109.4553	0.047	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<6>,1|H<1>}	H(CN[5]HH)	109.4698	0.042	88	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<8>,1|H<1>}	H(CN[5]HH)	109.4533	0.053	9	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.4838	0.038	5	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<5>}	H(CN[5]HH)	109.4930	0.018	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<6>}	H(CN[5]HH)	109.4856	0.053	5	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<6>,1|H<1>}	H(CN[5]HH)	109.4515	0.034	11	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.5020	0.074	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|H<1>}	H(CN[5]HH)	109.4960	0.039	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	H(CN[5]HH)	109.4665	0.027	17	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<6>,1|H<1>}	H(CN[5]HH)	109.4650	0.059	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	H(CN[5]HH)	108.7177	2.483	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<8>,1|H<1>}	H(CN[5]HH)	109.4430	0.030	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	H(CN[5]HH)	109.4774	0.059	23	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Os<7>,1|C<4>}	H(CN[5]HH)	109.4770	0.066	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.4913	0.034	7	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	H(CN[5]HH)	109.6061	0.850	11	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pt<4>,1|H<1>}	H(CN[5]HH)	109.4065	0.960	17	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	H(CN[5]HH)	109.4616	0.623	87	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<7>,1|H<1>}	H(CN[5]HH)	110.0353	1.309	22	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<4>,1|H<1>}	H(CN[5]HH)	109.4533	0.020	6	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<8>,1|H<1>}	H(CN[5]HH)	109.4366	0.026	5	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ru<9>,1|H<1>}	H(CN[5]HH)	109.4731	0.037	22	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<4>,1|H<1>}	H(CN[5]HH)	109.4112	0.046	4	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	H(CN[5]HH)	109.4663	0.017	9	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Sm<6>,1|H<1>}	H(CN[5]HH)	109.4853	0.053	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ti<6>,1|H<1>}	H(CN[5]HH)	109.4845	0.066	2	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<4>,1|H<1>}	H(CN[5]HH)	109.4738	0.039	36	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>}	H(CN[5]HH)	109.4680	0.062	3	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.5773	0.655	85	109.4819	0.474	2116	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4690	0.048	4	109.4690	0.002	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4741	0.757	20	109.4746	0.495	23	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|Cd<5>,1|H<1>}	H(CN[5]HH)	109.4780	0.034	3	109.4746	0.495	23	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4695	0.045	2	109.4695	0.002	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.2343	0.608	21	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4819	0.029	19	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|I<1>}	H(CN[5]HH)	109.4977	0.031	3	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|Fe<6>,1|H<1>}	H(CN[5]HH)	109.3056	0.246	8	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|C<4>}	H(CN[5]HH)	108.6587	3.544	3	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	H(CN[5]HH)	109.4867	0.017	3	109.3237	0.627	57	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	H(CN[5]HH)	109.5812	0.742	385	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	H(CN[5]HH)	109.5070	0.291	75	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4854	0.038	11	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4748	0.294	245	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|I<1>}	H(CN[5]HH)	109.4547	0.097	3	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	H(CN[5]HH)	109.5828	0.747	6	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4973	0.031	3	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Cu<3>,1|H<1>}	H(CN[5]HH)	109.4838	0.034	11	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<4>,1|H<1>}	H(CN[5]HH)	109.4587	0.072	3	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<6>,1|H<1>}	H(CN[5]HH)	107.7277	1.583	3	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>}	H(CN[5]HH)	109.4789	0.036	19	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	H(CN[5]HH)	109.7417	1.693	12	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<7>,1|H<1>}	H(CN[5]HH)	109.4733	0.029	3	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Rh<4>,1|H<1>}	H(CN[5]HH)	109.4830	0.042	10	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	H(CN[5]HH)	109.4699	0.026	24	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Zn<4>,1|H<1>}	H(CN[5]HH)	109.4591	0.042	59	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	H(CN[5]HH)	109.5370	0.500	102	109.5237	0.325	974	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4699	0.035	11	109.4699	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3){1|P<4>}	H(CN[5]HH)	109.4797	0.031	3	109.4797	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|Br<1>}	H(CN[5]HH)	109.4873	0.122	4	109.2090	0.295	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|H<1>}	H(CN[5]HH)	108.6525	0.708	2	109.2090	0.295	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<3>}	H(CN[5]HH)	109.4900	0.000	1	109.4770	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	H(CN[5]HH)	109.4744	0.029	5	109.4770	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	H(CN[5]HH)	109.4882	0.026	5	109.4801	0.000	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	H(CN[5]HH)	109.4700	0.027	2	109.4801	0.000	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4733	0.014	3	109.4801	0.000	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4493	0.041	3	109.4493	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.5340	0.088	3	109.5340	0.008	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4677	0.030	6	109.4677	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	H(CN[5]HH)	109.4786	0.019	5	109.4786	0.000	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4700	0.045	3	109.4700	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	H(CN[5]HH)	109.4933	0.016	3	109.4812	0.000	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	H(CN[5]HH)	109.4835	0.023	10	109.4812	0.000	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	H(CN[5]HH)	109.4692	0.009	5	109.4812	0.000	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.6126	1.267	41	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4864	0.039	5	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4609	0.050	17	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	H(CN[5]HH)	111.4996	3.398	9	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4698	0.028	10	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Rh<4>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4752	0.031	9	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	H(CN[5]HH)	109.4722	0.053	16	109.6954	1.784	107	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4713	0.035	6	109.4713	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.5146	0.047	5	109.5146	0.002	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4475	0.030	6	109.4475	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.5024	0.100	5	109.5024	0.010	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>}	H(CN[5]HH)	109.4723	0.032	114	109.4723	0.001	114	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3){2|C<4>}	H(CN[5]HH)	109.4567	0.011	3	109.4567	0.000	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[5]HH)	109.4715	0.005	4	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CN[5]HH)	109.4730	0.035	2	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4720	0.036	5	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	H(CN[5]HH)	109.1970	1.769	11	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4552	0.033	6	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.5040	0.014	2	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	H(CN[5]HH)	109.4690	0.034	3	109.3789	0.995	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3){2|H<1>}	H(CN[5]HH)	109.4755	0.021	2	109.4755	0.000	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<3>}	H(CN[5]HH)	109.0883	0.894	3	109.3567	0.172	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4461	0.032	9	109.3567	0.172	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4793	0.014	4	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[5]HH)	109.4833	0.011	3	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4812	0.023	5	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	H(CN[5]HH)	109.4891	0.034	12	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4683	0.032	3	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4670	0.016	5	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){1|Cl<1>,1|C<4>}	H(CN[5]HH)	109.4603	0.052	3	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4620	0.019	3	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){2|C<3>}	H(CN[5]HH)	109.4678	0.036	14	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]O)2(CH3){4|H<1>}	H(CN[5]HH)	108.0843	2.072	3	109.3991	0.261	55	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Os)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.5058	0.018	6	109.5058	0.000	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4557	0.045	9	109.4790	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	H(CN[5]HH)	109.4330	0.047	2	109.4790	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<2>}	H(CN[5]HH)	109.4783	0.017	3	109.4790	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4886	0.053	25	109.4790	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.5000	0.017	3	109.4790	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.7473	0.786	20	109.6669	0.452	28	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	H(CN[5]HH)	109.4423	0.065	3	109.6669	0.452	28	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4800	0.036	5	109.6669	0.452	28	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4920	0.034	8	109.4920	0.001	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	H(CN[5]HH)	109.4717	0.064	3	109.4804	0.002	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|C<4>,1|S<2>}	H(CN[5]HH)	109.4863	0.052	3	109.4804	0.002	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CH3){1|Si<4>,1|C<4>}	H(CN[5]HH)	109.4833	0.016	3	109.4804	0.002	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.4920	0.035	2	109.4920	0.001	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	H(CN[5]HH)	109.4982	0.031	5	109.4982	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	H(CN[5]HH)	109.4413	0.010	3	109.4497	0.001	7	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|S<2>}	H(CN[5]HH)	109.4560	0.036	4	109.4497	0.001	7	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3){1|Se<2>}	H(CN[5]HH)	109.4830	0.035	6	109.4830	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]Si)(C[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.4680	0.027	2	109.4680	0.001	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.5123	0.042	3	109.5123	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4573	0.043	6	109.4573	0.002	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4760	0.007	2	109.4760	0.000	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4520	0.041	3	109.4690	0.002	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4791	0.058	8	109.4690	0.002	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5]HH)	109.4850	0.041	3	109.4690	0.002	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5]HH)	109.4790	0.057	3	109.4690	0.002	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4601	0.045	12	109.4690	0.002	29	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	H(CN[5]HH)	109.4516	0.086	5	109.4743	0.003	19	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	H(CN[5]HH)	109.4649	0.030	8	109.4743	0.003	19	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	H(CN[5]HH)	109.5058	0.035	6	109.4743	0.003	19	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	H(CN[5]HH)	109.4998	0.028	4	109.4998	0.001	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4618	0.021	5	109.4659	0.003	41	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	H(CN[5]HH)	109.4655	0.081	11	109.4659	0.003	41	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	H(CN[5]HH)	109.4707	0.041	10	109.4659	0.003	41	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<5>,3|C<3>}	H(CN[5]HH)	109.4408	0.025	5	109.4659	0.003	41	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	H(CN[5]HH)	109.4759	0.035	10	109.4659	0.003	41	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Co<4>,3|C<3>}	H(CN[5]HH)	109.4646	0.035	16	109.4660	0.001	88	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Cu<4>,3|C<3>}	H(CN[5]HH)	109.4766	0.038	5	109.4660	0.001	88	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Ni<4>,3|C<3>}	H(CN[5]HH)	109.4736	0.039	25	109.4660	0.001	88	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Pd<4>,3|C<3>}	H(CN[5]HH)	109.4510	0.041	11	109.4660	0.001	88	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Zn<4>,3|C<3>}	H(CN[5]HH)	109.4643	0.037	31	109.4660	0.001	88	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3){1|Fe<5>,3|C<3>}	H(CN[5]HH)	109.4701	0.043	17	109.4701	0.002	17	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4822	0.070	5	109.4822	0.005	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4677	0.020	3	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4235	0.048	4	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Fe<5>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.6901	0.338	22	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4619	0.049	8	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4527	0.077	3	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	H(CN[5]HH)	106.9364	4.136	6	109.2381	2.779	46	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	H(CN[5]HH)	109.4756	0.033	18	109.4756	0.001	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.5210	0.036	3	109.5210	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[5]HH)	110.2155	2.655	4	109.9665	4.377	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4685	0.022	2	109.9665	4.377	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	H(CN[5]HH)	109.5068	0.028	5	109.4925	0.001	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	H(CN[5]HH)	109.4782	0.033	5	109.4925	0.001	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	H(CN[5]HH)	109.4677	0.057	4	109.4677	0.003	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	H(CN[5]HH)	109.4725	0.026	6	109.4725	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	H(CN[5]HH)	109.4846	0.031	33	109.4846	0.001	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4822	0.023	6	109.4822	0.001	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3){2|C<3>}	H(CN[5]HH)	109.4952	0.031	5	109.4952	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4556	0.025	5	109.4556	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4588	0.026	9	109.4588	0.001	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]B)(C[5]N[5]H)(CH3){1|C<4>}	H(CN[5]HH)	110.6110	2.777	3	110.6110	7.711	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4783	0.043	6	109.4783	0.002	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4645	0.041	22	109.4645	0.002	22	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CH3){1|B<4>}	H(CN[5]HH)	109.4588	0.024	5	109.4588	0.001	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4665	0.042	34	109.4665	0.002	34	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4827	0.035	48	109.4827	0.001	48	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4757	0.036	16	109.4757	0.001	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4700	0.054	65	109.4707	0.003	69	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	H(CN[5]HH)	109.4832	0.023	4	109.4707	0.003	69	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4822	0.035	18	109.4822	0.001	18	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4663	0.041	30	109.4670	0.002	146	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4672	0.039	116	109.4670	0.002	146	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4675	0.031	11	109.4675	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4642	0.046	5	109.4642	0.002	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4759	0.049	49	109.4759	0.002	49	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|C<3>}	H(CN[5]HH)	109.4797	0.015	3	109.4704	0.001	14	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|H<1>}	H(CN[5]HH)	109.4572	0.025	5	109.4704	0.001	14	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>,1|Sn<6>}	H(CN[5]HH)	109.4623	0.038	3	109.4704	0.001	14	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)(C[5]N[5]S)(CH3){1|Sn<5>}	H(CN[5]HH)	109.4910	0.073	3	109.4704	0.001	14	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]H)2(CH3){1|C<4>}	H(CN[5]HH)	109.4561	0.030	16	109.4561	0.001	16	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4800	0.000	1	109.4700	0.012	48	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4698	0.111	47	109.4700	0.012	48	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4665	0.095	78	109.4731	0.005	291	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4749	0.059	207	109.4731	0.005	291	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|S<2>}	H(CN[5]HH)	109.4790	0.044	3	109.4731	0.005	291	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.5177	0.032	3	109.4731	0.005	291	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4543	0.063	3	109.4543	0.004	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3){1|C<4>}	H(CN[5]HH)	109.4332	0.056	10	109.4428	0.003	13	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.4747	0.035	3	109.4428	0.003	13	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]Pd)(CH3){2|C<4>}	H(CN[5]HH)	109.4600	0.067	5	109.4600	0.005	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]Rh)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)(C[5]N[5]Rh)(CH3){2|C<4>}	H(CN[5]HH)	109.4793	0.038	3	109.4793	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ir)2(CH3){2|C<4>}	H(CN[5]HH)	109.5075	0.032	2	109.5075	0.001	2	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4634	0.029	11	109.4634	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4547	0.541	6	109.4620	0.134	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|Mg<4>,1|H<1>}	H(CN[5]HH)	109.4693	0.039	6	109.4620	0.134	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.5052	0.200	19	109.5052	0.040	19	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4650	0.036	4	109.4650	0.001	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4677	0.039	3	109.4909	0.058	31	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.5014	0.287	22	109.4909	0.058	31	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	H(CN[5]HH)	109.4642	0.056	6	109.4909	0.058	31	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4942	0.049	5	109.4942	0.002	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	H(CN[5]HH)	109.4728	0.044	6	109.4728	0.002	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]N)(C[5]S[5]N)(CH3)	H(CN[5]HH)	109.4873	0.045	3	109.4873	0.002	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.5383	0.732	37	109.5383	0.535	37	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	H(CN[5]HH)	109.4606	0.024	5	109.4702	0.004	100	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4584	0.022	8	109.4702	0.004	100	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4728	0.067	82	109.4702	0.004	100	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4564	0.024	5	109.4702	0.004	100	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]O)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]O)2(CH3){1|C<4>}	H(CN[5]HH)	109.4623	0.013	3	109.4623	0.000	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4749	0.040	15	109.4701	0.003	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4662	0.058	18	109.4701	0.003	33	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){1|C<2>,1|C<4>}	H(CN[5]HH)	109.5218	0.069	6	109.5983	0.060	27	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.6202	0.274	21	109.5983	0.060	27	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.5344	0.243	66	109.5685	0.343	329	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.5778	0.646	261	109.5685	0.343	329	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>}	H(CN[5]HH)	109.4935	0.063	2	109.5685	0.343	329	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	H(CN[5]HH)	109.4560	0.049	4	109.4560	0.002	4	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pd)2(CH3){2|C<4>}	H(CN[5]HH)	109.4994	0.038	7	109.4994	0.001	7	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4588	0.037	9	109.4588	0.001	9	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4859	0.030	12	109.4548	0.587	157	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4523	0.798	145	109.4548	0.587	157	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CH3){1|C<4>}	H(CN[5]HH)	109.4984	0.015	5	109.4984	0.000	5	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4930	0.045	6	109.4741	0.002	44	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4716	0.042	35	109.4741	0.002	44	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4653	0.009	3	109.4741	0.002	44	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.2168	1.468	6	109.3363	0.996	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4557	0.064	6	109.3363	0.996	12	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4099	0.586	53	109.4562	0.200	168	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4783	0.373	112	109.4562	0.200	168	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4517	0.027	3	109.4562	0.200	168	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4737	0.053	3	109.4737	0.003	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4696	0.047	42	109.4696	0.002	42	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.5795	0.815	94	109.5161	0.261	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4756	0.089	144	109.5161	0.261	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	H(CN[5]HH)	109.4927	0.033	6	109.5161	0.261	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ru)(C[5]N[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.4560	0.028	3	109.4560	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4728	0.044	10	109.4728	0.002	10	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	H(CN[5]HH)	109.4966	0.043	11	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<2>,1|H<1>}	H(CN[5]HH)	109.5305	0.123	6	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4322	0.047	11	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4717	0.070	190	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	H(CN[5]HH)	109.4766	0.040	5	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4676	0.083	21	109.4723	0.005	244	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4635	0.247	121	109.4635	0.061	121	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4795	0.059	8	109.4795	0.003	8	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4731	0.038	20	109.4731	0.001	20	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3){1|H<1>}	H(CN[5]HH)	109.4643	0.064	6	109.4643	0.004	6	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.4716	0.024	11	109.4716	0.001	11	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3){1|H<1>}	H(CN[5]HH)	109.4847	0.032	3	109.4847	0.001	3	109.4787	0.363	8632	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	112.0593	4.042	3	112.0593	16.338	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	109.5087	0.055	3	109.5087	0.003	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4440	0.000	1	109.4440	0.000	1	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.5165	0.046	2	109.4781	0.002	15	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4757	0.034	6	109.4781	0.002	15	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	H(CN[5]HH)	109.4691	0.049	7	109.4781	0.002	15	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Cr)(N[5]C[5]C)(CH3){2|H<1>}	H(CN[5]HH)	109.5567	0.149	3	109.5567	0.022	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4838	0.073	6	109.4699	0.007	14	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Cr<6>,1|H<1>}	H(CN[5]HH)	109.5290	0.118	3	109.4699	0.007	14	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>}	H(CN[5]HH)	109.4178	0.059	5	109.4699	0.007	14	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.4720	0.010	3	109.4720	0.000	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5]Rh)(N[5]C[5]C)(CH3){2|H<1>}	H(CN[5]HH)	109.4706	0.021	5	109.4706	0.000	5	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(CN[5]HH)	109.4635	0.013	2	109.4635	0.000	2	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4808	0.039	5	109.4808	0.002	5	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4557	0.044	14	109.4557	0.002	14	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CH3){1|Pd<4>,5|C<3>}	H(CN[5]HH)	109.4625	0.012	2	109.4625	0.000	2	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4580	0.037	2	109.4580	0.001	2	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5,6]Rh)(N[5]C[5,6]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4673	0.041	3	109.4673	0.002	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4933	0.150	3	109.4672	0.010	6	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]H)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	H(CN[5]HH)	109.4410	0.035	3	109.4672	0.010	6	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4867	0.018	3	109.4780	0.002	18	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<4>}	H(CN[5]HH)	109.4547	0.043	3	109.4780	0.002	18	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4577	0.030	3	109.4780	0.002	18	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.5102	0.049	6	109.4780	0.002	18	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ir)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	H(CN[5]HH)	109.4487	0.041	3	109.4780	0.002	18	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4513	0.064	6	109.4674	0.003	20	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Pd)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	H(CN[5]HH)	109.4743	0.045	14	109.4674	0.003	20	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Rh)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	H(CN[5]HH)	109.4773	0.050	3	109.4773	0.002	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]Ru)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4903	0.030	3	109.4903	0.001	3	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	H(CN[5]HH)	109.4426	0.071	5	109.4653	0.004	9	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]N[5]S)(N[5]N[5]H)(CH3){1|Pd<5>,1|H<1>}	H(CN[5]HH)	109.4938	0.034	4	109.4653	0.004	9	109.5309	0.396	134	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4960	0.016	3	109.4960	0.000	3	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4540	0.044	3	109.4540	0.002	3	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4766	0.033	11	109.4707	0.001	19	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	H(CN[5]HH)	109.4395	0.022	2	109.4707	0.001	19	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4702	0.028	6	109.4707	0.001	19	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>}	H(CN[5]HH)	109.5240	0.053	3	109.5240	0.003	3	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.5018	0.051	12	109.5018	0.003	12	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4662	0.060	17	109.4662	0.004	17	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4780	0.036	28	109.4780	0.001	28	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4773	0.039	6	109.4773	0.002	6	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4790	0.067	6	109.4790	0.005	6	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4622	0.028	6	109.4622	0.001	6	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4730	0.016	5	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4243	0.018	3	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4704	0.028	20	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4115	0.047	2	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4658	0.041	11	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	H(CN[5]HH)	109.4305	0.019	2	109.4617	0.001	43	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Ir)(CH3){3|C<3>}	H(CN[5]HH)	109.4747	0.027	3	109.4747	0.001	3	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Mo)(CH3){3|C<3>}	H(CN[5]HH)	109.4290	0.019	3	109.4290	0.000	3	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]Pd)(CH3){3|C<3>}	H(CN[5]HH)	109.4982	0.033	6	109.4982	0.001	6	109.4732	0.002	158	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:I-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)2(I)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	H(CN[5]HI)	C(N[5]C[5]2)(H)2(I)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	H(CN[5]HI)	109.0705	0.063	2	109.0705	0.004	2	109.0705	0.004	2	109.4810	0.417	12016	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CN[5]HH)	109.4647	0.011	3	109.4647	0.000	3	109.4718	0.000	6	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(CN[5]HH)	109.4830	0.037	2	109.4830	0.001	2	109.4718	0.000	6	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4718	0.000	6	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4500	0.000	1	109.4500	0.000	1	109.4512	0.001	10	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4493	0.017	3	109.4493	0.000	3	109.4512	0.001	10	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4610	0.050	3	109.4610	0.003	3	109.4512	0.001	10	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4437	0.010	3	109.4437	0.000	3	109.4512	0.001	10	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4800	0.010	2	109.4800	0.000	2	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	H(CN[5]HH)	109.4717	0.028	3	109.4717	0.001	3	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4647	0.022	4	109.4647	0.000	4	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4615	0.033	2	109.4615	0.001	2	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(CN[5]HH)	109.4850	0.061	3	109.4634	0.005	21	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(CN[5]HH)	109.4700	0.114	6	109.4634	0.005	21	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(CN[5]HH)	109.4340	0.054	7	109.4634	0.005	21	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	H(CN[5]HH)	109.4855	0.042	4	109.4634	0.005	21	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4770	0.000	1	109.4634	0.005	21	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4780	0.072	3	109.4780	0.005	3	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	H(CN[5]HH)	109.4750	0.011	2	109.4750	0.000	2	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	111.2997	1.613	3	111.2997	2.602	3	109.6043	0.376	40	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5]HH)	121.9303	4.429	3	121.9303	19.616	3	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4747	0.031	3	109.4700	0.001	5	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	H(CN[5]HH)	109.4630	0.011	2	109.4700	0.001	5	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4867	0.026	6	109.3638	0.497	62	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	H(CN[5]HH)	109.4762	0.028	12	109.3638	0.497	62	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.0928	1.336	12	109.3638	0.497	62	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.3915	0.582	29	109.3638	0.497	62	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4857	0.029	3	109.3638	0.497	62	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CN[5]HH)	109.4447	0.400	3	109.4447	0.160	3	109.8909	7.270	73	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4700	0.016	2	109.4705	0.000	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4710	0.004	2	109.4705	0.000	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4710	0.006	3	109.4710	0.000	3	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	111.3423	3.868	3	110.1609	5.232	8	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	H(CN[5]HH)	109.4410	0.028	3	110.1609	5.232	8	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	H(CN[5]HH)	109.4685	0.008	2	110.1609	5.232	8	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	H(CN[5]HH)	109.4847	0.020	3	109.4847	0.000	3	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	H(CN[5]HH)	109.4630	0.030	3	109.4630	0.001	3	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(CN[5]HH)	109.4925	0.022	2	109.4925	0.000	2	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4650	0.008	2	109.4660	0.000	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.4670	0.007	2	109.4660	0.000	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	H(CN[5]HH)	109.4305	0.028	2	109.4555	0.001	6	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	H(CN[5]HH)	109.4680	0.023	4	109.4555	0.001	6	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(CN[5]HH)	109.4480	0.007	2	109.4480	0.000	2	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	H(CN[5]HH)	109.4775	0.040	2	109.4698	0.001	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	H(CN[5]HH)	109.4620	0.040	2	109.4698	0.001	4	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	110.9703	2.787	3	110.9703	7.766	3	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	H(CN[5]HH)	109.3493	2.371	3	109.3493	5.624	3	109.6831	1.636	45	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4710	0.006	2	109.4710	0.000	2	109.4656	0.000	5	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4620	0.014	3	109.4620	0.000	3	109.4656	0.000	5	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(CN[5]HH)	109.4940	0.036	3	109.4940	0.001	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.5070	0.022	3	109.5070	0.000	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4637	0.028	3	109.4637	0.001	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4667	0.026	3	109.4667	0.001	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4663	0.020	9	109.4867	0.202	12	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.5477	1.049	3	109.4867	0.202	12	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4725	0.050	11	109.4725	0.002	11	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4806	0.023	5	109.4806	0.001	5	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]HH)	109.4980	0.036	3	109.4980	0.001	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4650	0.020	6	109.4617	0.000	9	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	H(CN[5]HH)	109.4550	0.027	3	109.4617	0.000	9	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3){2|C<3>,2|O<2>}	H(CN[5]HH)	109.4937	0.023	3	109.4937	0.001	3	109.4794	0.042	55	109.6666	2.657	234	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:5:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-5:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4700	0.030	13	109.4700	0.001	13	109.4684	0.001	24	109.4684	0.001	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	3:5:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-5:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4665	0.028	11	109.4665	0.001	11	109.4684	0.001	24	109.4684	0.001	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.5037	0.020	3	109.5037	0.000	3	109.5037	0.000	3	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	H(CN[5]HH)	109.4723	0.030	6	109.4723	0.001	6	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4602	0.023	10	109.4715	0.002	36	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	H(CN[5]HH)	109.4570	0.048	6	109.4715	0.002	36	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4600	0.026	6	109.4715	0.002	36	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.5158	0.068	5	109.4715	0.002	36	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	H(CN[5]HH)	109.4768	0.046	9	109.4715	0.002	36	109.4716	0.002	42	109.4738	0.002	45	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:Cl-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(Cl)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH)	H(CN[5]ClH)	C(N[5]C[5]S[5])(Cl)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH){2|C<3>}	H(CN[5]ClH)	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	H(CN[5]HH)	109.4723	0.023	6	109.4723	0.001	6	109.4700	0.000	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	H(CN[5]HH)	109.4613	0.007	3	109.4613	0.000	3	109.4700	0.000	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]S)(CH3){6|C<3>}	H(CN[5]HH)	109.4740	0.028	3	109.4740	0.001	3	109.4700	0.000	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(CN[5]HH)	109.4633	0.050	3	109.4647	0.001	10	109.4647	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,4|H<1>,5|C<4>}	H(CN[5]HH)	109.4620	0.016	2	109.4647	0.001	10	109.4647	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(CN[5]HH)	109.4885	0.015	2	109.4647	0.001	10	109.4647	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(CN[5]HH)	109.4520	0.025	3	109.4647	0.001	10	109.4647	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4677	0.081	3	109.4729	0.002	16	109.7247	0.428	19	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4741	0.034	13	109.4729	0.002	16	109.7247	0.428	19	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	H(CN[5]HH)	111.0680	0.792	3	111.0680	0.627	3	109.7247	0.428	19	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4575	0.005	2	109.4575	0.000	2	109.4564	0.001	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4940	0.020	2	109.4940	0.000	2	109.4564	0.001	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CN[5]HH)	109.4435	0.019	2	109.4435	0.000	2	109.4564	0.001	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(CN[5]HH)	109.4350	0.024	3	109.4478	0.001	6	109.4564	0.001	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(CN[5]HH)	109.4607	0.019	3	109.4478	0.001	6	109.4564	0.001	12	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(CN[5]HH)	109.5100	0.011	2	109.5100	0.000	2	109.4904	0.002	17	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(CN[5]HH)	109.4983	0.026	3	109.4827	0.002	9	109.4904	0.002	17	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4748	0.059	6	109.4827	0.002	9	109.4904	0.002	17	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CN[5]HH)	109.4953	0.038	6	109.4953	0.001	6	109.4904	0.002	17	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4700	0.036	3	109.4700	0.001	3	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4700	0.030	3	109.4700	0.001	3	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4570	0.073	3	109.4570	0.005	3	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3){2|C<4>,4|H<1>}	H(CN[5]HH)	109.4529	0.041	7	109.4529	0.002	7	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3){4|C<4>}	H(CN[5]HH)	109.4970	0.020	15	109.4970	0.000	15	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Pd)(CH3){4|C<4>}	H(CN[5]HH)	109.4478	0.041	15	109.4478	0.002	15	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4717	0.005	6	109.4712	0.001	15	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.4709	0.040	9	109.4712	0.001	15	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3){1|N<3>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4704	0.030	5	109.4704	0.001	5	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4710	0.006	2	109.4663	0.000	4	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4615	0.015	2	109.4663	0.000	4	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4633	0.023	4	109.4633	0.001	4	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	108.3353	3.681	3	108.9815	7.964	28	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(CN[5]HH)	106.0875	8.843	3	108.9815	7.964	28	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4643	0.028	22	108.9815	7.964	28	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4675	0.009	2	109.4675	0.000	2	109.3374	2.136	104	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4650	0.015	4	109.4650	0.000	4	109.4650	0.000	4	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4838	0.020	8	109.4838	0.000	8	109.4772	0.001	16	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4710	0.025	5	109.4710	0.001	5	109.4772	0.001	16	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4703	0.053	3	109.4703	0.003	3	109.4772	0.001	16	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	H(CN[5]HH)	109.4465	0.022	2	109.4465	0.000	2	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3){1|O<2>,3|H<1>,4|C<3>}	H(CN[5]HH)	109.4588	0.031	4	109.4588	0.001	4	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4740	0.008	2	109.4740	0.000	2	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4787	0.072	3	109.4787	0.005	3	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CN[5]HH)	109.4990	0.071	6	109.4990	0.005	6	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4885	0.048	11	109.4902	0.002	15	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4950	0.048	4	109.4902	0.002	15	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4647	0.036	3	109.4647	0.001	3	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CN[5]HH)	109.4865	0.036	2	109.4865	0.001	2	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4497	0.056	3	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CN[5]HH)	109.4657	0.035	3	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	H(CN[5]HH)	109.5017	0.067	3	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|P<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4862	0.036	6	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|S<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4507	0.030	3	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	H(CN[5]HH)	109.4386	0.051	5	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4747	0.061	3	109.4668	0.002	26	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CN[5]HH)	109.4950	0.010	2	109.4825	0.000	4	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	H(CN[5]HH)	109.4700	0.021	2	109.4825	0.000	4	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	H(CN[5]HH)	109.4190	0.058	2	109.4190	0.003	2	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4625	0.058	6	109.4625	0.003	6	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.4768	0.032	5	109.4768	0.001	5	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	H(CN[5]HH)	109.4709	0.017	16	109.4709	0.000	16	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(CN[5]HH)	109.9746	0.605	5	109.9746	0.366	5	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(CN[5]HH)	109.4180	0.045	2	109.4180	0.002	2	109.4964	0.028	103	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4698	0.032	6	109.4698	0.001	6	109.4723	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4760	0.014	4	109.4760	0.000	4	109.4723	0.001	10	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4487	0.017	3	109.4487	0.000	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4757	0.031	3	109.4757	0.001	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	H(CN[5]HH)	109.5526	0.324	7	109.5526	0.105	7	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(CN[5]HH)	109.4692	0.035	6	109.4692	0.001	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4633	0.017	6	109.4633	0.000	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	H(CN[5]HH)	109.4670	0.022	4	109.4670	0.000	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(CN[5]HH)	109.4700	0.006	2	109.4700	0.000	2	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.4802	0.015	4	109.4802	0.000	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.4646	0.019	5	109.4646	0.000	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3){1|C<4>,1|H<1>,1|S<2>}	H(CN[5]HH)	109.4857	0.031	3	109.4857	0.001	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	H(CN[5]HH)	109.5077	0.054	3	109.5077	0.003	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4780	0.019	3	109.4780	0.000	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|C<4>}	H(CN[5]HH)	109.6830	1.328	3	109.5707	0.723	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){3|C<3>}	H(CN[5]HH)	109.4583	0.079	3	109.5707	0.723	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	H(CN[5]HH)	109.4420	0.041	3	109.4524	0.001	9	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4577	0.030	6	109.4524	0.001	9	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3){2|C<3>}	H(CN[5]HH)	109.4776	0.020	5	109.4776	0.000	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4750	0.012	6	109.4750	0.000	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3){4|C<3>}	H(CN[5]HH)	109.4557	0.017	4	109.4557	0.000	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4690	0.025	6	109.4690	0.001	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.5060	0.031	2	109.4680	0.003	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CN[5]HH)	109.4427	0.046	3	109.4680	0.003	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4353	0.035	3	109.8883	2.539	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){4|H<1>}	H(CN[5]HH)	110.3413	2.394	3	109.8883	2.539	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	H(CN[5]HH)	109.0440	1.685	3	109.0440	2.840	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.4700	0.035	4	109.4700	0.001	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	H(CN[5]HH)	109.4717	0.038	18	109.4717	0.001	18	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4603	0.014	3	109.4603	0.000	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CN[5]HH)	109.4490	0.008	2	109.5190	0.038	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	H(CN[5]HH)	109.4640	0.021	3	109.5190	0.038	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CN[5]HH)	109.4704	0.033	19	109.5190	0.038	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4537	0.030	3	109.5190	0.038	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){4|H<1>}	H(CN[5]HH)	109.8036	0.413	5	109.5190	0.038	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4818	0.045	5	109.4818	0.002	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4682	0.029	5	109.4828	0.001	15	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.5127	0.058	3	109.4828	0.001	15	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4804	0.009	7	109.4828	0.001	15	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4614	0.086	5	109.4614	0.007	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){1|O<1>}	H(CN[5]HH)	109.4617	0.021	3	109.4905	0.009	27	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	H(CN[5]HH)	109.4696	0.034	19	109.4905	0.009	27	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	H(CN[5]HH)	109.5874	0.191	5	109.4905	0.009	27	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4270	0.030	3	109.4270	0.001	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<2>,1|C<3>}	H(CN[5]HH)	109.4557	0.069	3	109.4557	0.005	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3){4|H<1>}	H(CN[5]HH)	109.4843	0.015	3	109.4843	0.000	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	H(CN[5]HH)	108.3540	2.670	6	108.3540	7.127	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3){4|H<1>}	H(CN[5]HH)	108.9203	7.407	3	108.9203	54.857	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.2317	1.016	3	109.4830	0.166	245	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>}	H(CN[5]HH)	109.4905	0.021	2	109.4830	0.166	245	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4594	0.028	5	109.4830	0.166	245	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	H(CN[5]HH)	109.4808	0.047	5	109.4830	0.166	245	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	H(CN[5]HH)	109.4868	0.409	230	109.4830	0.166	245	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4717	0.077	3	109.4717	0.006	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	H(CN[5]HH)	109.4767	0.048	3	109.4767	0.002	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4732	0.044	6	109.4732	0.002	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4787	0.037	6	109.4787	0.001	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4744	0.011	5	109.4744	0.000	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4840	0.029	3	109.4840	0.001	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4723	0.030	8	109.4723	0.001	8	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4630	0.032	5	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4752	0.045	99	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.6552	0.899	75	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|O<1>}	H(CN[5]HH)	109.4585	0.009	2	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Pt<4>,1|O<1>}	H(CN[5]HH)	109.4747	0.031	3	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Re<6>,1|O<1>}	H(CN[5]HH)	109.4840	0.057	3	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Zn<4>,1|O<1>}	H(CN[5]HH)	109.4456	0.041	24	109.5355	0.294	211	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4680	0.020	5	109.4680	0.000	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	H(CN[5]HH)	109.4720	0.031	2	109.4775	0.002	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4788	0.048	21	109.4775	0.002	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.4627	0.015	4	109.4775	0.002	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	H(CN[5]HH)	109.4813	0.049	3	109.4775	0.002	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){3|H<1>}	H(CN[5]HH)	109.4925	0.008	2	109.4775	0.002	32	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.6541	1.683	97	109.6541	2.833	97	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.3674	1.970	12	109.3674	3.880	12	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4739	0.042	17	109.4739	0.002	17	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4811	0.047	7	109.4811	0.002	7	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	H(CN[5]HH)	109.4644	0.040	5	109.4516	0.011	17	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.3880	0.278	3	109.4516	0.011	17	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){3|H<1>}	H(CN[5]HH)	109.4657	0.030	9	109.4516	0.011	17	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4993	0.075	6	109.4993	0.006	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4808	0.046	5	109.4808	0.002	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4695	0.006	2	109.4695	0.000	2	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3){1|C<3>}	H(CN[5]HH)	109.4640	0.071	3	109.4640	0.005	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	H(CN[5]HH)	109.4891	0.138	18	109.4891	0.019	18	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	H(CN[5]HH)	109.4682	0.030	4	109.4682	0.001	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	H(CN[5]HH)	109.4723	0.033	4	109.4723	0.001	4	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	H(CN[5]HH)	111.0018	4.300	6	111.0018	18.486	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3){1|Fe<10>,1|W<6>,3|C<4>}	H(CN[5]HH)	109.4543	0.057	3	109.4543	0.003	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.4580	0.030	13	109.4655	0.001	21	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4778	0.031	8	109.4655	0.001	21	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,4|H<1>}	H(CN[5]HH)	109.4750	0.021	3	109.7005	1.582	28	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4715	0.011	4	109.7005	1.582	28	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4507	0.038	3	109.7005	1.582	28	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4744	0.024	9	109.7005	1.582	28	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	H(CN[5]HH)	110.1868	2.224	9	109.7005	1.582	28	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4533	0.041	3	109.4533	0.002	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4808	0.026	6	109.4808	0.001	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4403	0.042	3	109.4403	0.002	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4673	0.046	3	109.4673	0.002	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4662	0.070	5	109.4662	0.005	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3){1|N<3>,2|F<1>,3|C<3>}	H(CN[5]HH)	109.4765	0.022	2	109.4765	0.000	2	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4482	0.046	6	109.4570	0.002	8	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4835	0.012	2	109.4570	0.002	8	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4604	0.030	10	109.4604	0.001	10	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3){3|C<3>}	H(CN[5]HH)	109.4327	0.040	3	109.4327	0.002	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|W<6>,2|C<3>}	H(CN[5]HH)	109.5080	0.015	3	109.5080	0.000	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4875	0.006	2	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CN[5]HH)	109.4523	0.018	3	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	H(CN[5]HH)	109.4477	0.025	3	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	H(CN[5]HH)	109.4771	0.045	26	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	H(CN[5]HH)	109.4847	0.013	3	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,2|C<4>}	H(CN[5]HH)	109.4555	0.045	2	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>}	H(CN[5]HH)	109.4903	0.035	3	109.4742	0.002	42	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3){1|C<3>}	H(CN[5]HH)	109.4629	0.039	8	109.4629	0.002	8	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4745	0.020	16	109.4771	0.000	22	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>}	H(CN[5]HH)	109.4723	0.020	3	109.4771	0.000	22	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4960	0.020	3	109.4771	0.000	22	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4612	0.042	5	109.4612	0.002	5	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3){1|H<1>}	H(CN[5]HH)	109.4837	0.057	3	109.4837	0.003	3	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3){1|C<4>}	H(CN[5]HH)	109.4577	0.032	6	109.4577	0.001	6	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3){1|H<1>}	H(CN[5]HH)	109.4600	0.038	14	109.4600	0.001	14	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|C<4>}	H(CN[5]HH)	109.6793	9.496	3	110.4869	23.699	9	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|Si<4>}	H(CN[5]HH)	110.8907	1.123	6	110.4869	23.699	9	109.5175	0.820	1158	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4790	0.038	8	109.4790	0.001	8	109.4790	0.001	8	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CN[5]HH)	109.4583	0.059	3	109.4583	0.003	3	109.4583	0.003	3	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CN[5]HH)	109.4820	0.044	2	109.4820	0.002	2	109.4798	0.002	24	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	109.4862	0.031	4	109.4862	0.001	4	109.4798	0.002	24	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	H(CN[5]HH)	109.4819	0.065	10	109.4819	0.004	10	109.4798	0.002	24	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<4>,2|C<3>}	H(CN[5]HH)	109.4653	0.015	3	109.4653	0.000	3	109.4798	0.002	24	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.4782	0.027	5	109.4782	0.001	5	109.4798	0.002	24	109.5028	0.789	1501	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	H(CN[5]HH)	109.5010	0.038	3	109.5010	0.001	3	109.5010	0.001	3	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4614	0.036	5	109.4614	0.001	5	109.4614	0.001	5	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5,5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	H(CN[5]HH)	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	H(CN[5]HH)	109.4477	0.026	3	109.4477	0.001	3	109.4477	0.001	3	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4800	0.044	3	109.4800	0.002	3	109.4739	0.002	9	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4740	0.000	1	109.4740	0.000	1	109.4739	0.002	9	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4702	0.061	5	109.4702	0.004	5	109.4739	0.002	9	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(H)3	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]P[5,5]C[5])(H)3	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4644	0.032	5	109.4644	0.001	5	109.4644	0.001	5	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3){6|C<3>}	H(CN[5]HH)	109.4727	0.034	3	109.4727	0.001	3	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	110.5018	1.771	8	110.5018	3.138	8	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4720	0.000	2	109.4720	0.000	2	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4477	0.047	3	109.4477	0.002	3	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4784	0.042	11	109.4784	0.002	11	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4395	0.062	2	109.4395	0.004	2	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4610	0.041	3	109.4610	0.002	3	109.7263	0.917	32	109.6137	0.525	57	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	5:2:4:	4:	N[5]-3:H-1:H-1:H-1:	Si[5,5]-5:N[5]-2:C-4:	C-4:	C(N[5]Si[5,5]N[5])(H)3	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]Si[5,5]N[5])(H)3	N[5](Si[5,5]C[6]N[5]O[5]2)(N[5]C[5])(CH3){1|C<3>,1|H<1>,1|N<2>,5|C<4>}	H(CN[5]HH)	109.4820	0.026	3	109.4820	0.001	3	109.4820	0.001	3	109.4820	0.001	3	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	5:3:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5,5]-5:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4616	0.039	5	109.4616	0.002	5	109.4616	0.002	5	109.4616	0.002	5	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:1:1:1:	6:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C-4:	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5x3,6x5,20x6]C[5])(H)3	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	H(CN[5]HH)	109.4790	0.021	2	109.4790	0.000	2	109.4790	0.000	2	109.4790	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	109.4593	0.076	3	109.4593	0.006	3	109.4593	0.006	3	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]HO)	109.5870	0.018	2	109.4860	0.014	4	109.4860	0.014	4	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]N[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	H(CN[5]HO)	109.3850	0.025	2	109.4860	0.014	4	109.4860	0.014	4	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pd<4>,1|C<4>}	H(CN[5]HS)	108.9433	0.322	6	108.9140	0.083	14	108.9140	0.083	14	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pt<4>,1|C<4>}	H(CN[5]HS)	108.8955	0.220	4	108.9140	0.083	14	108.9140	0.083	14	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	H(CN[5]HS)	108.8885	0.367	4	108.9140	0.083	14	108.9140	0.083	14	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:2:4:	4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	H(CN[5]SeH)	109.1263	0.075	3	109.1263	0.006	3	109.1263	0.006	3	109.1040	0.114	24	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]CH)	108.9415	0.011	2	109.0980	0.711	6	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	109.1762	1.077	4	109.0980	0.711	6	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	108.9235	0.023	2	109.0636	0.041	8	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CH)	108.8470	0.011	2	109.0636	0.041	8	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	109.2420	0.099	4	109.0636	0.041	8	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.5037	0.010	4	109.5037	0.000	4	109.1729	0.260	18	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	109.4694	0.360	8	109.4694	0.130	8	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.0384	1.464	10	108.0384	2.142	10	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	H(CN[5]CH)	107.7150	1.308	2	107.7150	1.711	2	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>}	H(CN[5]CH)	109.1510	0.000	1	109.1510	0.000	1	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3080	0.027	2	109.5362	0.030	17	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.5666	0.160	15	109.5362	0.030	17	109.0220	1.124	38	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HO)	107.5870	2.995	2	107.5870	8.972	2	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]HO)	108.6850	0.689	6	108.1942	1.579	8	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HO)	106.7220	1.703	2	108.1942	1.579	8	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	H(CN[5]HO)	109.8963	0.703	3	110.0528	0.293	5	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	H(CN[5]HO)	110.2875	0.045	2	110.0528	0.293	5	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	H(CN[5]HO)	109.3150	0.000	1	109.2022	0.075	4	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	H(CN[5]HO)	108.7940	0.000	1	109.2022	0.075	4	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	H(CN[5]HO)	109.3500	0.054	2	109.2022	0.075	4	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	H(CN[5]HO)	109.2790	0.230	4	108.6149	0.977	8	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	H(CN[5]HO)	107.9507	1.025	4	108.6149	0.977	8	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HO)	109.4110	0.144	4	109.4110	0.021	4	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO)	H(CN[5]HO)	C(N[5]C[5,6a]C[5])(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HO)	109.8675	0.380	6	109.8675	0.144	6	109.0154	1.398	37	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	H(CN[5]HO)	108.4560	0.571	4	108.5293	0.210	6	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	H(CN[5]HO)	108.6760	0.099	2	108.5293	0.210	6	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO){1|H<1>,2|C<4>}	H(CN[5]HO)	110.0440	0.034	2	110.0440	0.001	2	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	H(CN[5]HO)	109.2852	0.055	4	109.2852	0.003	4	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	H(CN[5]HO)	109.3043	0.224	3	109.3043	0.050	3	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	H(CN[5]HO)	109.3372	0.201	4	109.3372	0.041	4	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OC[6])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	H(CN[5]HO)	108.9173	1.610	6	108.9173	2.592	6	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CHHO){2|C<3>}	H(CN[5]HO)	109.1825	0.018	2	109.1825	0.000	2	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	H(CN[5]HO)	109.8005	0.069	2	109.8005	0.005	2	109.1427	0.701	29	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(OC)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO)	H(CN[5]HO)	C(N[5]C[5]N[5])(OC)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO){1|C<4>,1|H<1>}	H(CN[5]HO)	109.1810	0.020	2	109.1810	0.000	2	109.1810	0.000	2	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]HS)	108.6960	1.413	2	108.6960	1.996	2	108.5385	0.699	4	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HS)	108.3810	0.018	2	108.3810	0.000	2	108.5385	0.699	4	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	H(CN[5]HS)	108.8800	0.010	2	108.8800	0.000	2	108.8770	0.000	3	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SP)(H)2	N[5](C[5]C[5,6a]O)2(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SP)(H)2	N[5](C[5]C[5,6a]O)2(CHHS){2|C<3>}	H(CN[5]HS)	108.8710	0.000	1	108.8710	0.000	1	108.8770	0.000	3	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:3:4:	4:	N[5]-3:Se-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SeC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5]2)(SeC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	H(CN[5]SeH)	109.2507	0.236	11	109.2507	0.056	11	109.2507	0.056	11	109.0673	0.856	142	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	3:4:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(CN[5]CH)	108.7375	0.015	2	108.7375	0.000	2	108.7375	0.000	2	108.7375	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(CN[5]CH)	108.4986	1.416	8	108.4986	2.006	8	108.4986	2.006	8	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	H(CN[5]CH)	108.8395	0.011	2	108.8395	0.000	2	107.8002	4.283	4	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	H(CN[5]CH)	106.7610	2.920	2	106.7610	8.528	2	107.8002	4.283	4	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(OH)(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5,5]C[5])(OH)(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HO)	109.3113	0.368	4	109.3113	0.135	4	109.3113	0.135	4	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO)	H(CN[5]HO)	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO){2|H<1>}	H(CN[5]HO)	109.1260	0.033	2	109.1260	0.001	2	109.1260	0.001	2	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO)	H(CN[5]HO)	C(N[5]C[5]S[5])(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO){2|C<3>}	H(CN[5]HO)	109.3795	0.454	4	109.3795	0.206	4	109.3795	0.206	4	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:2:1:1:	4:3:4:	4:	N[5]-3:S-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	H(CN[5]HS)	C(N[5]C[5]S[5])(SC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	H(CN[5]HS)	108.5595	0.050	4	108.5595	0.003	4	108.5595	0.003	4	108.7093	1.411	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	2:2:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]N[5]2)(CC[6a]O)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|B<6>,1|C<4>}	H(CN[5]CH)	109.2525	0.023	2	109.2525	0.001	2	109.0553	0.053	4	109.0553	0.053	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	2:2:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]N[5]2)(COO)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Zn<6>,1|C<3>}	H(CN[5]CH)	108.8580	0.054	2	108.8580	0.003	2	109.0553	0.053	4	109.0553	0.053	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Pd<4>,1|C<3>}	H(CC[6]N[5]H)	109.4460	0.058	2	109.4460	0.003	2	109.3225	0.022	4	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[5]H)	109.1990	0.017	2	109.1990	0.000	2	109.3225	0.022	4	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:P[5]-2:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	108.9495	0.009	2	108.9055	0.003	4	108.9055	0.003	4	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:P[5]-2:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	N[5](N[5]N[5]Re)(P[5]C[5])(CC[6]HH){1|Si<4>}	H(CC[6]N[5]H)	108.8615	0.039	2	108.9055	0.003	4	108.9055	0.003	4	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3725	0.011	2	109.3725	0.000	2	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3522	0.136	4	109.3522	0.019	4	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.8965	0.009	2	108.9796	0.304	11	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.2917	0.245	3	108.9796	0.304	11	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.8855	0.023	2	108.9796	0.304	11	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.5842	0.058	4	108.9796	0.304	11	109.1135	0.229	17	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:	C-4:	C(N[5]C[5,6a]O[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]O[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	108.8105	0.016	2	108.8105	0.000	2	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3445	0.029	2	109.4718	0.022	4	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	H(CN[5]CH)	109.5990	0.038	2	109.4718	0.022	4	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	H(CN[5]CH)	109.0392	0.014	6	109.0392	0.000	6	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	H(CN[5]CH)	107.9615	1.916	2	107.9615	3.669	2	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	H(CN[5]CH)	109.6325	0.022	2	109.6325	0.000	2	109.0582	0.507	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(N[5]Se[5]C[5])(CCH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	H(CN[5]CH)	C(N[5]Se[5]C[5])(CCH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	H(CN[5]CH)	108.8705	0.131	2	108.8705	0.017	2	108.8705	0.017	2	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Fe<6>,1|C<3>}	H(CC[6]N[5]H)	109.4945	0.432	6	109.5250	0.136	8	109.5250	0.136	8	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Zn<4>,1|C<4>}	H(CC[6]N[5]H)	109.6165	0.016	2	109.5250	0.136	8	109.5250	0.136	8	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Ge[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.3192	0.177	4	108.3192	0.031	4	108.3192	0.031	4	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Se[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.4212	0.143	5	109.4212	0.020	5	109.4212	0.020	5	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.0581	0.203	13	109.0581	0.041	13	109.0581	0.041	13	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CHHN){1|C<4>,1|N<2>}	H(CN[5]HN)	109.1573	0.023	4	109.1573	0.001	4	108.8651	0.101	8	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]H)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CHHN){1|C<4>}	H(CN[5]HN)	108.5730	0.083	4	108.5730	0.007	4	108.8651	0.101	8	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.4225	0.035	4	109.4225	0.001	4	109.6192	0.094	6	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]N[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]N[5])(CN[5]HH){1|C<4>}	H(CN[5]2H)	110.0125	0.012	2	110.0125	0.000	2	109.6192	0.094	6	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	108.9360	0.008	2	108.9360	0.000	2	109.8361	0.199	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](C[5]C[5]Cu)(N[5]N[5])(CN[5]HH){2|C<3>}	H(CN[5]2H)	109.9884	0.186	7	109.9884	0.035	7	109.8361	0.199	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.5233	0.035	3	109.5233	0.001	3	109.8361	0.199	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](C[5]N[5]Pt)(N[5]C[5])(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	110.2540	0.021	4	110.2540	0.000	4	109.8361	0.199	16	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|C<4>}	H(CN[5]N[6]H)	108.3697	0.374	8	108.4114	0.111	34	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<3>,1|N<2>}	H(CN[5]N[6]H)	108.1965	0.028	4	108.4114	0.111	34	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){1|C<4>,1|N<2>}	H(CN[5]N[6]H)	108.3330	0.182	13	108.4114	0.111	34	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CN[6]HH){2|C<4>}	H(CN[5]N[6]H)	108.6572	0.427	9	108.4114	0.111	34	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<3>}	H(CN[5]N[6]H)	108.4885	0.037	2	108.5979	0.215	8	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:2:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[5](C[5]O[5]S)(N[5]C[5])(CN[6]HH){1|C<4>}	H(CN[5]N[6]H)	108.6343	0.543	6	108.5979	0.215	8	108.4469	0.131	42	109.0023	0.378	146	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	H(CC[5]N[5]H)	108.9340	0.000	1	108.9340	0.000	1	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	109.6035	0.005	2	109.4733	0.023	10	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.4407	0.152	8	109.4733	0.023	10	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.4680	0.149	4	109.4680	0.022	4	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	109.7720	0.011	2	109.6602	0.017	4	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.5485	0.022	2	109.6602	0.017	4	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	109.2725	0.178	12	109.2624	0.039	20	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.2474	0.233	8	109.2624	0.039	20	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	108.9455	0.083	2	109.0212	0.040	12	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.0363	0.216	10	109.0212	0.040	12	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	109.4662	0.117	10	109.5234	0.095	19	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.5870	0.435	9	109.5234	0.095	19	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.2443	0.056	3	109.2443	0.003	3	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	H(CC[5]N[5]H)	109.0020	0.011	2	109.0020	0.000	2	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	110.0703	0.081	4	110.0703	0.006	4	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	109.9705	0.006	2	109.8792	0.012	6	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]N[5]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.8335	0.110	4	109.8792	0.012	6	109.4108	0.117	85	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	H(CC[5]N[5]H)	109.0688	0.366	6	109.0688	0.134	6	109.0186	0.126	9	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	H(CC[5]N[5]H)	108.9180	0.384	3	108.9180	0.147	3	109.0186	0.126	9	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[5a]N[5]H)	109.6895	0.043	2	109.6895	0.002	2	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5a]N[5]H)	109.0734	0.102	5	109.1567	0.027	7	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[5a]N[5]H)	109.3650	0.007	2	109.1567	0.027	7	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]N[5]H)	109.4860	0.059	2	109.4860	0.004	2	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5a]N[5]H)	109.1910	0.000	1	109.0832	0.003	6	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5a]N[5]H)	109.0710	0.021	3	109.0832	0.003	6	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5a]N[5]H)	109.0475	0.016	2	109.0832	0.003	6	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]N[5]H)	109.2573	0.033	3	109.2573	0.001	3	109.2360	0.048	20	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	H(CC[5a]N[5]H)	109.0312	0.166	4	109.0312	0.028	4	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	109.4795	0.080	4	109.0034	0.177	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Co<6>,1|H<1>}	H(CC[5a]N[5]H)	108.6850	0.238	2	109.0034	0.177	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Mn<6>,1|H<1>}	H(CC[5a]N[5]H)	108.7050	0.004	2	109.0034	0.177	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Ni<6>,1|H<1>}	H(CC[5a]N[5]H)	108.6680	0.088	2	109.0034	0.177	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[5a]HH){4|H<1>}	H(CC[5a]N[5]H)	108.6635	0.021	2	108.6635	0.000	2	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	H(CC[5a]N[5]H)	109.4815	0.005	2	109.4815	0.000	2	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]O[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	H(CC[5a]N[5]H)	108.9595	0.013	2	108.9595	0.000	2	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	H(CC[5a]N[5]H)	109.1105	0.006	2	109.1105	0.000	2	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	H(CC[5a]N[5]H)	109.4260	0.000	1	109.4260	0.000	1	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	H(CC[5a]N[5]H)	109.2055	0.125	2	109.2055	0.016	2	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	H(CC[5a]N[5]H)	109.5985	0.008	2	109.5069	2.701	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	109.8365	2.786	4	109.5069	2.701	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Cd<6>,1|H<1>}	H(CC[5a]N[5]H)	109.1715	0.060	2	109.5069	2.701	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Zn<4>,1|H<1>}	H(CC[5a]N[5]H)	109.0915	0.030	2	109.5069	2.701	10	109.1856	0.834	35	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	108.7362	0.282	12	108.7362	0.079	12	109.0176	0.220	39	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	108.4767	0.156	4	108.4767	0.024	4	109.0176	0.220	39	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	109.2585	0.425	23	109.2585	0.180	23	109.0176	0.220	39	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	H(CC[6]N[5]H)	108.8193	0.087	3	108.8193	0.008	3	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	108.7315	0.306	4	108.7315	0.094	4	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	109.3430	0.035	2	109.3430	0.001	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	108.2781	0.923	17	108.2781	0.852	17	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.1725	0.023	2	109.1725	0.001	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.7523	0.105	3	109.7523	0.011	3	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.4000	0.076	2	109.4000	0.006	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.1673	0.123	6	109.1673	0.015	6	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	109.5625	0.039	2	109.5625	0.002	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	108.8060	0.049	2	108.8060	0.002	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH){1|Cl<1>,1|C<4>}	H(CC[6]N[5]H)	109.7395	0.028	2	109.7395	0.001	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.6930	0.086	2	109.3623	0.150	4	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|Pd<7>,1|H<1>}	H(CC[6]N[5]H)	109.0315	0.074	2	109.3623	0.150	4	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	108.4785	0.060	2	107.9775	0.172	6	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	107.7270	0.185	4	107.9775	0.172	6	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	106.1385	5.136	2	106.1385	26.376	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	110.2445	0.062	2	110.2445	0.004	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH){2|C<4>}	H(CC[6]N[5]H)	109.5910	0.051	3	109.5910	0.003	3	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.3893	0.078	4	109.3893	0.006	4	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.0652	0.337	9	109.0672	0.099	19	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0690	0.312	10	109.0672	0.099	19	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	108.6745	0.529	4	108.6745	0.280	4	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.3835	0.006	2	109.3835	0.000	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.9416	0.476	10	108.9416	0.226	10	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.4247	0.067	3	109.4247	0.005	3	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.2308	0.541	45	109.2572	0.250	58	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.3486	0.320	13	109.2572	0.250	58	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	109.4905	0.050	2	109.4905	0.003	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.5105	0.790	2	108.5105	0.624	2	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.2303	1.190	14	109.1722	0.666	32	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.1271	0.354	18	109.1722	0.666	32	109.0540	0.659	198	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH){1|H<1>,3|C<3>}	H(CC[6]N[5]H)	109.6910	0.051	2	109.6910	0.003	2	109.6910	0.003	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.0640	0.086	2	109.0640	0.007	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Co)(C[5]N[5]S)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0645	0.030	2	109.0645	0.001	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.7194	0.481	14	108.7194	0.231	14	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	109.1585	0.021	2	109.1585	0.000	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.8226	0.370	9	108.8226	0.137	9	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.1595	0.015	2	108.7480	0.145	6	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){2|H<1>}	H(CC[6]N[5]H)	108.5422	0.269	4	108.7480	0.145	6	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.9831	0.162	18	108.9831	0.026	18	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.8255	0.022	2	108.8255	0.000	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.0164	0.169	11	109.0164	0.028	11	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.4900	0.109	2	109.4900	0.012	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	H(CC[6]N[5]H)	108.8540	0.057	2	109.0532	0.055	4	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){2|H<1>}	H(CC[6]N[5]H)	109.2525	0.042	2	109.0532	0.055	4	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>}	H(CC[6]N[5]H)	109.2120	0.024	2	109.2120	0.001	2	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>}	H(CC[6]N[5]H)	109.7138	0.033	4	109.5964	0.022	7	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	109.4400	0.020	3	109.5964	0.022	7	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<3>}	H(CC[6]N[5]H)	109.8280	0.074	4	109.4991	0.228	16	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	H(CC[6]N[5]H)	109.3942	0.560	10	109.4991	0.228	16	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|Si<4>}	H(CC[6]N[5]H)	109.3660	0.051	2	109.4991	0.228	16	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	H(CC[6]N[5]H)	109.1005	0.378	10	109.1005	0.143	10	109.0733	0.180	107	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8355	0.063	2	108.8355	0.004	2	108.8355	0.004	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.0525	0.005	2	109.0525	0.000	2	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0516	0.227	12	109.1001	0.051	15	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2940	0.008	3	109.1001	0.051	15	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.6470	0.176	4	108.6470	0.031	4	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.9895	0.005	2	109.1367	0.059	12	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.2498	0.243	4	109.1367	0.059	12	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.9730	0.051	2	109.1367	0.059	12	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.4610	0.021	2	109.1367	0.059	12	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.8970	0.016	2	109.1367	0.059	12	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0904	0.393	8	109.0357	0.134	10	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8170	0.045	2	109.0357	0.134	10	109.0510	0.082	43	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3340	0.037	2	109.3340	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8350	0.042	2	108.8350	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.3165	0.023	2	109.3165	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.5450	0.054	2	109.6246	0.016	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.6379	0.131	12	109.6246	0.016	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.4582	1.132	8	108.4582	1.281	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.5825	0.810	2	109.5825	0.656	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9480	0.010	2	108.9480	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.9008	0.216	4	108.9008	0.047	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0031	0.337	7	109.0031	0.114	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	106.9310	4.059	2	106.9310	16.474	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9695	0.042	2	108.9695	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	H(CC[6a]N[5]H)	108.7185	0.008	2	108.7185	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9460	0.049	4	109.0526	0.087	20	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0793	0.326	16	109.0526	0.087	20	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.7467	0.035	3	108.7467	0.001	3	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1045	0.296	15	109.1045	0.088	15	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	108.6580	0.040	4	108.6580	0.002	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH){4|C<4>}	H(CC[6a]N[5]H)	109.0945	0.030	2	109.0945	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.6510	0.033	2	108.6510	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.4005	0.594	6	108.4005	0.352	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	H(CC[6a]N[5]H)	108.6812	0.291	6	108.6812	0.085	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.9850	0.030	2	108.9850	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7774	0.425	12	108.7774	0.180	12	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(CC[6a]N[5]H)	108.9305	0.006	2	108.8243	0.034	3	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(CC[6a]N[5]H)	108.6120	0.000	1	108.8243	0.034	3	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7150	0.211	3	108.9702	0.277	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>}	H(CC[6a]N[5]H)	108.9855	0.036	2	108.9702	0.277	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1540	0.773	4	108.9702	0.277	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.9480	0.000	1	108.9480	0.000	1	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	108.6971	0.228	7	108.6971	0.052	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.8370	0.132	6	108.8370	0.017	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	108.6500	0.025	2	108.6500	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	109.5070	0.010	2	107.9039	2.786	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	107.4459	1.617	7	107.9039	2.786	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH){1|C<3>,1|S<2>}	H(CC[6a]N[5]H)	108.8045	0.019	2	108.8045	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	108.7285	0.016	2	108.6375	0.012	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	H(CC[6a]N[5]H)	108.5465	0.035	2	108.6375	0.012	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5]H)	108.4885	0.016	2	108.4885	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5]H)	106.3210	2.563	2	106.3210	6.567	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH){3|C<4>}	H(CC[6a]N[5]H)	108.6950	0.007	2	108.6950	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.6390	0.378	6	108.6390	0.143	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2258	0.074	4	108.9027	0.190	29	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]N[5]H)	107.5415	0.050	2	108.9027	0.190	29	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2595	0.040	2	108.9027	0.190	29	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|S<2>}	H(CC[6a]N[5]H)	108.9368	0.213	21	108.9027	0.190	29	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	H(CC[6a]N[5]H)	109.0215	0.032	2	108.3035	2.794	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.0642	1.907	6	108.3035	2.794	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.0830	0.010	4	109.0830	0.000	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.4052	0.086	4	109.4052	0.007	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH){1|C<3>,1|N<2>}	H(CC[6a]N[5]H)	109.0605	0.043	2	108.6302	1.122	119	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.6228	1.067	117	108.6302	1.122	119	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){2|Al<4>,1|H<1>}	H(CC[6a]N[5]H)	108.6597	0.099	3	108.6597	0.010	3	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.5530	0.018	2	108.6504	0.017	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	H(CC[6a]N[5]H)	108.4680	0.000	1	108.6504	0.017	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|Se<2>,1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.7985	0.037	2	108.6504	0.017	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	108.6910	0.048	2	108.6504	0.017	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.4735	0.042	2	109.4735	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	107.3685	1.792	8	107.3685	3.213	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	108.5725	0.045	2	108.5725	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH){1|C<4>}	H(CC[6a]N[5]H)	109.0187	1.017	9	109.0187	1.035	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5]H)	108.9843	0.197	4	108.9843	0.039	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	H(CC[6a]N[5]H)	109.0100	0.192	4	109.0100	0.037	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH){1|Cl<1>,1|C<4>}	H(CC[6a]N[5]H)	108.9117	0.422	6	108.9117	0.178	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	H(CC[6a]N[5]H)	108.9310	0.148	12	108.9310	0.022	12	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	107.7010	1.126	4	107.7010	1.268	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0717	0.272	49	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8828	0.201	6	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9883	0.252	6	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<6>,1|H<1>}	H(CC[6a]N[5]H)	108.6142	0.130	4	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0875	0.016	2	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0080	0.176	21	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Pd<4>,1|C<4>}	H(CC[6a]N[5]H)	108.4775	0.008	2	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9260	0.058	2	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.1769	0.368	20	109.0347	0.084	112	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>}	H(CC[6a]N[5]H)	109.2165	0.159	4	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0397	0.668	179	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1434	0.705	294	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9578	0.252	12	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<6>,1|H<1>}	H(CC[6a]N[5]H)	109.1670	0.291	9	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3216	0.236	34	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>}	H(CC[6a]N[5]H)	109.2026	0.251	7	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9740	0.075	4	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mn<6>,1|H<1>}	H(CC[6a]N[5]H)	108.9597	0.085	6	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mo<6>,1|H<1>}	H(CC[6a]N[5]H)	109.1470	0.000	1	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|C<4>}	H(CC[6a]N[5]H)	109.2285	0.008	2	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9730	0.235	3	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>}	H(CC[6a]N[5]H)	109.1480	0.055	2	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ru<9>,1|H<1>}	H(CC[6a]N[5]H)	109.4415	0.118	4	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Tc<6>,1|C<4>}	H(CC[6a]N[5]H)	109.1280	0.042	2	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1666	0.259	17	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8833	1.073	65	109.0949	0.483	645	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.2133	0.219	7	109.2133	0.048	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8475	0.029	2	108.8475	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9600	0.044	2	108.9600	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0574	0.312	42	109.0574	0.098	42	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.8410	0.027	2	108.8410	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH){1|C<2>,1|C<4>}	H(CC[6a]N[5]H)	108.9600	0.014	2	108.9600	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	H(CC[6a]N[5]H)	107.8470	0.599	8	108.3427	1.003	32	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.0660	1.376	8	108.3427	1.003	32	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Ir<6>,1|H<1>,2|N<3>}	H(CC[6a]N[5]H)	108.7496	0.968	12	108.3427	1.003	32	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Rh<4>,1|H<1>,2|N<3>}	H(CC[6a]N[5]H)	108.6667	0.077	4	108.3427	1.003	32	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.2685	0.021	2	108.2685	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9820	2.833	4	108.0374	3.974	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	106.2340	1.702	4	108.0374	3.974	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.6100	0.266	6	108.0374	3.974	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.6795	0.018	2	108.7355	0.011	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.6620	0.041	2	108.7355	0.011	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	H(CC[6a]N[5]H)	108.8650	0.017	2	108.7355	0.011	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.5727	0.064	3	108.9297	0.079	13	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	109.0119	0.245	8	108.9297	0.079	13	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	109.1365	0.008	2	108.9297	0.079	13	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.3535	0.019	2	109.3535	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	109.2265	0.033	2	109.2225	0.001	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.2185	0.029	2	109.2225	0.001	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.6430	0.000	1	108.6430	0.000	1	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5]H)	108.8590	0.025	2	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>}	H(CC[6a]N[5]H)	108.7535	0.005	2	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7530	0.000	1	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.2142	0.113	4	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	108.8250	0.013	2	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){1|N<2>,3|H<1>}	H(CC[6a]N[5]H)	109.1320	0.048	2	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.8290	0.000	1	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	109.0860	0.054	2	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.0440	0.000	1	108.9879	0.037	17	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	109.0250	0.013	2	109.0250	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.6483	0.042	4	108.6860	0.005	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]N[5]H)	108.7615	0.029	2	108.6860	0.005	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[5]H)	108.8688	0.090	4	108.8688	0.008	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	108.9892	0.150	4	108.3803	0.916	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	H(CC[6a]N[5]H)	107.1625	0.252	2	108.3803	0.916	6	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	H(CC[6a]N[5]H)	108.2875	0.035	2	108.2875	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,3|C<3>}	H(CC[6a]N[5]H)	108.9250	0.336	10	108.9802	0.109	12	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5]H)	109.2565	0.006	2	108.9802	0.109	12	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8950	0.017	2	108.8950	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2697	0.417	11	109.2002	0.121	19	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8730	0.061	2	109.2002	0.121	19	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[5]H)	109.1475	0.220	4	109.2002	0.121	19	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.2500	0.025	2	109.2002	0.121	19	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[5]H)	108.6090	0.123	7	108.6243	0.012	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.6780	0.006	2	108.6243	0.012	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5]H)	108.7030	0.042	2	108.7030	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.2245	0.039	2	109.2245	0.002	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0270	0.314	11	109.0270	0.098	11	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(CC[6a]HH){1|H<1>}	H(CC[6a]N[5]H)	109.1380	0.085	4	109.1380	0.007	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	H(CC[6a]N[5]H)	107.5500	0.320	4	107.5500	0.102	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8105	0.011	2	108.8105	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0314	0.368	12	109.0314	0.135	12	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9822	0.133	8	108.9822	0.018	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9502	0.202	6	109.0392	0.065	20	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0774	0.271	14	109.0392	0.065	20	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH){1|C<4>}	H(CC[6a]N[5]H)	108.9890	0.013	2	109.0692	0.006	5	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(CC[6a]HH){2|Fe<6>}	H(CC[6a]N[5]H)	109.1227	0.046	3	109.0692	0.006	5	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6097	0.405	10	108.9683	0.120	44	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.0737	0.247	34	108.9683	0.120	44	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.7258	0.189	4	108.7258	0.036	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7610	0.573	4	108.7610	0.329	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.4190	0.010	2	108.6346	0.642	28	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.5743	0.800	26	108.6346	0.642	28	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	108.9160	0.031	2	108.9160	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1028	0.086	8	108.5916	0.924	38	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.4553	1.042	30	108.5916	0.924	38	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.6321	0.093	9	108.6321	0.009	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0209	0.463	57	108.9517	0.484	198	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9237	0.770	141	108.9517	0.484	198	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CC[6a]HH){1|C<4>}	H(CC[6a]N[5]H)	109.0571	0.322	18	109.0571	0.104	18	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1265	0.311	48	109.1265	0.097	48	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.5385	0.184	6	108.5835	1.124	26	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.5970	1.212	20	108.5835	1.124	26	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9288	0.286	33	109.0779	0.137	65	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.2316	0.388	32	109.0779	0.137	65	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7705	0.023	2	108.7705	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Se)(C[5]N[5]H)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	108.9575	0.022	2	108.9575	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.1879	0.825	20	108.1879	0.681	20	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1126	0.222	14	109.1126	0.049	14	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.3540	0.034	2	109.3540	0.001	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.9399	0.380	7	108.9399	0.145	7	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	107.6240	1.314	2	107.6240	1.726	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	H(CC[6a]N[5]H)	109.1390	0.008	2	109.1390	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9777	0.715	14	109.0694	0.246	49	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1061	0.384	35	109.0694	0.246	49	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8137	0.066	3	108.8137	0.004	3	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	H(CC[6a]N[5]H)	109.3785	0.490	2	109.3785	0.240	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9333	0.134	4	108.9333	0.018	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.7170	0.000	1	109.7170	0.000	1	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.8250	0.010	2	108.8732	0.063	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8893	0.294	6	108.8732	0.063	8	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.4470	0.021	2	108.9772	0.147	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1287	0.275	7	108.9772	0.147	9	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6425	0.011	2	108.6425	0.000	2	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.8093	0.053	4	109.8093	0.003	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.5060	0.049	4	108.5060	0.002	4	108.9313	0.530	2059	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|Cd<6>,1|H<1>}	H(CC[6a]N[5]H)	112.4165	2.002	2	112.4165	4.007	2	112.4165	4.007	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.7430	0.008	2	108.7430	0.000	2	108.8222	0.033	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.6720	0.038	2	108.6720	0.001	2	108.8222	0.033	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0515	0.043	2	109.0515	0.002	2	108.8222	0.033	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	H(CN[5]CH)	108.9675	0.057	2	108.9675	0.003	2	108.9675	0.003	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]N[5]N)(CCHH){1|H<1>,2|C<4>}	H(CN[5]CH)	109.7815	0.028	2	109.7815	0.001	2	109.4740	0.127	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CNO)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CNO)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	H(CN[5]CH)	109.1665	0.043	2	109.1665	0.002	2	109.4740	0.127	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.0583	0.070	3	109.0583	0.005	3	109.0583	0.005	3	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0440	0.147	3	109.0440	0.022	3	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.9401	0.204	8	108.9401	0.041	8	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	108.9790	0.270	8	108.9027	0.069	14	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	108.7450	0.281	4	108.9027	0.069	14	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]CH)	108.9130	0.033	2	108.9027	0.069	14	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	108.7999	0.219	10	108.8119	0.115	16	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	108.6005	0.054	2	108.8119	0.115	16	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	108.9475	0.614	4	108.8119	0.115	16	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4235	0.057	2	109.4235	0.003	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	107.7408	3.000	6	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	108.7490	0.027	4	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CH)	109.1583	0.178	6	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	108.4313	0.758	10	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]CH)	109.1757	0.036	3	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.0426	0.381	5	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	108.4680	0.315	3	108.6175	1.661	37	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.8573	0.057	6	108.9322	0.102	14	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<6>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9884	0.422	8	108.9322	0.102	14	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1380	0.416	10	109.0697	0.167	12	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.7280	0.006	2	109.0697	0.167	12	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	106.0575	0.941	2	106.0575	0.886	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1945	0.125	4	109.1945	0.016	4	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.5790	0.010	2	109.5790	0.000	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0670	0.065	3	109.0670	0.004	3	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	H(CN[5]CH)	110.0765	0.009	2	110.0765	0.000	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9420	0.028	2	108.9420	0.001	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	H(CN[5]CH)	109.7130	0.000	1	109.7130	0.000	1	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0348	2.419	6	109.0348	5.850	6	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.8045	0.463	6	109.8045	0.215	6	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.5680	0.011	2	109.5680	0.000	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	109.5425	0.294	4	109.5425	0.087	4	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	108.9625	0.033	2	108.9625	0.001	2	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9674	0.342	12	108.9674	0.117	12	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.6165	0.750	22	108.6744	0.552	24	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3115	0.028	2	108.6744	0.552	24	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1640	0.251	4	109.1640	0.063	4	108.8988	0.805	182	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2855	0.035	2	109.2855	0.001	2	109.2855	0.001	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	109.2437	0.048	3	109.2437	0.002	3	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.6252	0.283	6	108.6252	0.080	6	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9627	0.455	4	108.9627	0.207	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	108.2455	0.009	2	108.2455	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	108.9207	0.098	3	108.9207	0.010	3	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.2995	0.011	2	108.2995	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	H(CN[5]CH)	109.3325	0.042	2	109.3325	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.9864	0.687	12	109.0089	0.403	14	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|S<2>}	H(CN[5]CH)	109.1435	0.011	2	109.0089	0.403	14	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	108.9430	0.276	4	108.9430	0.076	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	109.1790	0.014	2	109.1790	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	109.2032	0.340	4	109.2032	0.115	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.7835	0.029	2	108.7835	0.001	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8480	0.000	1	108.8480	0.000	1	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.4993	0.086	6	108.9721	1.216	27	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7471	1.609	12	108.9721	1.216	27	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mn<6>,1|H<1>}	H(CN[5]CH)	108.8410	0.143	4	108.9721	1.216	27	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<6>,1|H<1>}	H(CN[5]CH)	108.5780	0.033	2	108.9721	1.216	27	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	H(CN[5]CH)	109.2550	0.278	3	108.9721	1.216	27	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0155	0.639	8	109.0155	0.409	8	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	108.8330	0.011	2	108.7920	0.003	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	H(CN[5]CH)	108.7510	0.028	2	108.7920	0.003	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(CN[5]CH)	108.7890	0.538	10	108.8216	0.205	14	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	H(CN[5]CH)	108.9760	0.021	2	108.8216	0.205	14	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.8305	0.039	2	108.8216	0.205	14	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	108.4315	0.032	2	108.4315	0.001	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3715	0.016	2	109.3715	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2806	0.187	8	109.2806	0.035	8	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2210	0.359	24	109.2692	0.134	34	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3849	0.376	10	109.2692	0.134	34	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	109.2175	0.341	16	109.2175	0.116	16	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.5645	0.032	2	108.5645	0.001	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.9470	0.042	2	109.9470	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	H(CN[5]CH)	109.1825	0.046	2	109.1825	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	H(CN[5]CH)	109.8890	0.233	2	109.8890	0.054	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[4]N)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	108.7490	0.095	4	108.7490	0.009	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[4]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[4]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.8780	0.054	2	108.8780	0.003	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.2560	0.021	2	109.2560	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.9398	0.082	4	108.9398	0.007	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.1111	0.178	11	109.1111	0.032	11	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]N)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]N)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	106.7305	1.457	2	106.7305	2.124	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.1102	0.104	5	109.1102	0.011	5	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.2065	0.022	2	109.2065	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0620	0.006	2	109.2793	0.130	6	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.3880	0.412	4	109.2793	0.130	6	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2763	0.099	3	109.2381	0.006	9	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){2|C<4>}	H(CN[5]CH)	109.2190	0.072	6	109.2381	0.006	9	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0360	0.000	1	109.0360	0.000	1	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.9098	0.116	4	108.9098	0.013	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	H(CN[5]CH)	109.2520	0.041	2	109.2520	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.8640	0.014	2	109.8640	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1135	0.013	2	109.1135	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.3928	0.222	5	109.3928	0.049	5	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.3420	0.000	1	109.3420	0.000	1	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.5630	0.137	2	108.5630	0.019	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.3971	1.038	8	109.0523	0.797	32	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2706	0.774	22	109.0523	0.797	32	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	H(CN[5]CH)	109.2705	0.012	2	109.0523	0.797	32	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	107.3900	0.021	2	107.3900	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	107.9607	0.569	7	107.9607	0.324	7	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4528	0.430	19	109.4528	0.184	19	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.7165	0.019	2	108.9454	0.693	40	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9574	0.853	38	108.9454	0.693	40	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	107.9690	0.007	2	107.9690	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4560	0.029	4	109.4560	0.001	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.0905	0.056	2	109.0905	0.003	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	H(CN[5]CH)	109.6915	0.015	2	109.6915	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[6]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2410	0.000	1	109.2410	0.000	1	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.1635	0.473	10	109.1635	0.223	10	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	109.2670	0.088	4	109.2670	0.008	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.0577	0.737	28	109.0577	0.543	28	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.8620	0.047	4	109.8620	0.002	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0755	0.006	2	109.0755	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.5665	0.011	2	109.1508	0.083	60	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1365	0.282	58	109.1508	0.083	60	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	H(CN[5]CH)	108.6075	0.115	4	108.6075	0.013	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	H(CN[5]CH)	109.2036	0.491	5	109.2036	0.241	5	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.1370	0.081	2	109.1370	0.006	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.1915	1.450	2	108.1915	2.103	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	109.3290	0.023	2	109.3290	0.001	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	H(CN[5]CH)	109.3860	0.006	2	109.2715	0.018	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1570	0.020	2	109.2715	0.018	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	H(CN[5]CH)	108.9565	0.040	2	108.9565	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|C<4>,2|C<3>}	H(CN[5]CH)	108.2810	0.016	2	108.2810	0.000	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	H(CN[5]CH)	109.1455	0.201	4	109.1455	0.040	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4255	0.106	4	109.4255	0.011	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.4260	0.000	1	109.4260	0.000	1	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	107.7570	0.042	2	107.7570	0.002	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.0309	2.628	8	108.0309	6.906	8	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COsO)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COsO)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.1660	0.099	2	110.1660	0.010	2	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9270	0.069	4	108.9270	0.005	4	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSS)(H)2	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH){1|H<1>}	H(CN[5]CH)	108.8073	0.016	3	108.8073	0.000	3	109.0442	0.503	508	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	H(CN[5]CH)	103.4840	2.102	2	103.4840	4.416	2	107.9046	6.344	10	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	110.0865	0.063	2	110.0865	0.004	2	107.9046	6.344	10	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	H(CN[5]CH)	108.7910	0.404	4	108.7910	0.163	4	107.9046	6.344	10	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH){1|Cl<1>,1|C<3>}	H(CN[5]CH)	108.3705	0.043	2	108.3705	0.002	2	107.9046	6.344	10	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0227	0.021	3	109.0227	0.000	3	108.7909	0.106	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0170	0.000	1	109.0170	0.000	1	108.7909	0.106	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.5180	0.000	1	108.5180	0.000	1	108.7909	0.106	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.3465	0.047	2	108.3465	0.002	2	108.7909	0.106	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CSS)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CSS)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	109.0310	0.000	1	109.0310	0.000	1	108.7909	0.106	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH){1|H<1>,3|C<3>}	H(CC[5]N[5]H)	108.2333	0.398	3	108.2333	0.158	3	108.8905	0.593	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N[5]H)	109.5477	0.170	3	109.5477	0.029	3	108.8905	0.593	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]N[5]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	108.6590	0.034	3	108.6590	0.001	3	108.6590	0.001	3	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH)	H(CC[5a]N[5]H)	C(N[5]C[5,6a]C[5])(C[5a]N[5a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]N[5]H)	109.8367	0.058	4	109.8367	0.003	4	109.8367	0.003	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[5a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	H(CC[5a]N[5]H)	C(N[5]C[5]N[5])(C[5a]C[5a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	H(CC[5a]N[5]H)	108.7122	0.182	4	108.7122	0.033	4	108.7122	0.033	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]N[5]H)	108.6617	0.620	4	108.6617	0.385	4	109.1502	0.249	28	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.9400	0.137	4	109.9400	0.019	4	109.1502	0.249	28	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.4765	0.319	6	109.4765	0.102	6	109.1502	0.249	28	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.9242	0.128	14	108.9242	0.016	14	109.1502	0.249	28	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH){1|Cu<5>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2767	0.108	4	109.2767	0.012	4	109.2767	0.012	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.9300	0.000	1	108.9300	0.000	1	109.0073	0.066	24	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<4>,2|C<3>}	H(CC[6a]N[5]H)	108.8740	0.187	6	108.8972	0.042	13	109.0073	0.066	24	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<6>,2|C<3>}	H(CC[6a]N[5]H)	108.9170	0.230	7	108.8972	0.042	13	109.0073	0.066	24	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7860	0.004	2	108.7860	0.000	2	109.0073	0.066	24	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.2512	0.204	8	109.2512	0.042	8	109.0073	0.066	24	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.9497	0.209	4	108.9497	0.044	4	108.9560	0.033	5	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH){1|Se<2>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9810	0.000	1	108.9810	0.000	1	108.9560	0.033	5	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a,6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9050	0.035	2	108.9050	0.001	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.6403	0.112	4	108.7038	0.017	6	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8310	0.031	2	108.7038	0.017	6	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.7473	0.214	8	108.7473	0.046	8	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.9030	0.118	3	108.8035	0.029	17	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7170	0.052	2	108.8035	0.029	17	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7930	0.187	12	108.8035	0.029	17	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	109.0233	0.441	4	109.0233	0.194	4	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7760	0.145	4	108.7760	0.021	4	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,1|C<4>,3|C<3>}	H(CC[6a]N[5]H)	108.6420	0.057	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.6080	0.027	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[5]H)	108.9296	0.248	16	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.8418	0.455	78	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(CC[6a]N[5]H)	108.7420	0.018	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.6700	0.537	39	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8398	0.176	17	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2430	0.000	1	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[5]H)	109.3320	0.006	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	109.1650	0.006	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	H(CC[6a]N[5]H)	108.7015	0.029	2	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.8894	0.181	14	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	108.6132	0.152	4	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7116	0.569	102	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	H(CC[6a]N[5]H)	108.9128	0.103	6	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8447	0.157	6	108.7817	0.221	295	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.8565	0.039	2	108.8565	0.002	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.7437	0.229	26	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.5602	0.600	16	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.5056	1.050	49	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|Cl<1>,4|C<3>}	H(CC[6a]N[5]H)	109.0755	0.019	2	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	109.4360	0.006	2	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	107.6787	2.499	6	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.6033	0.596	37	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8205	0.246	23	108.6047	0.713	161	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.8414	0.516	7	108.8414	0.266	7	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	H(CC[6a]N[5]H)	109.3520	0.037	4	109.3520	0.001	4	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.4160	0.041	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.9145	0.046	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	109.0960	0.000	1	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.5020	0.100	4	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.7797	0.017	3	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.8001	0.542	44	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.7466	1.332	55	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.4960	1.482	27	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8017	0.252	16	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.4520	0.013	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.5420	0.055	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.3315	0.023	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[5]H)	108.9062	0.291	8	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	109.3455	0.021	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.6139	0.261	17	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8529	0.278	47	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[5]H)	108.5683	0.948	9	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]N[5]H)	108.4825	0.025	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.9207	0.212	17	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	H(CC[6a]N[5]H)	108.9774	0.260	9	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8984	0.268	41	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.9737	0.271	8	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.0580	0.040	2	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|Cl<1>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1900	0.000	1	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8071	0.305	11	108.7816	0.577	334	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.1167	0.180	6	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Hg<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.0950	0.021	2	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.0135	0.015	2	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.9145	0.205	4	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Sn<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.5205	0.037	2	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[5]H)	108.9255	0.011	2	109.0815	0.050	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.9880	0.016	2	108.9147	0.021	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.9802	0.194	4	108.9147	0.021	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.9186	0.076	5	108.9147	0.021	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[5]H)	108.7630	0.017	2	108.9147	0.021	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8898	0.193	5	108.9147	0.021	18	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0459	0.184	10	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0128	0.273	4	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1820	0.338	7	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1340	0.300	4	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0343	0.309	4	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0556	0.120	5	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.5655	0.346	4	109.0262	0.088	38	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9585	0.321	21	108.9585	0.103	21	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1940	0.024	2	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0464	1.420	112	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	H(CC[6a]N[5]H)	110.0395	0.011	2	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	106.5100	1.065	4	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3825	0.142	8	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cl<1>,1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	109.1225	0.036	2	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.5718	0.352	4	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.3953	0.090	4	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9623	0.210	9	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1227	0.182	4	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.7906	0.382	57	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2744	0.396	12	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2027	0.232	23	109.0043	1.132	243	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1734	0.629	14	108.9224	0.280	30	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.7028	0.297	16	108.9224	0.280	30	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9492	0.131	6	108.9492	0.017	6	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.7690	0.244	25	108.7690	0.059	25	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8960	0.322	74	108.9188	0.100	84	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.0879	0.211	10	108.9188	0.100	84	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9982	0.390	26	108.9982	0.152	26	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.1675	0.758	6	108.1675	0.574	6	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1402	0.271	16	109.1402	0.073	16	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.2553	1.542	15	108.3810	1.912	19	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8525	0.087	4	108.3810	1.912	19	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9535	0.098	8	108.7826	0.157	16	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.6116	0.510	8	108.7826	0.157	16	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0721	0.106	8	109.0721	0.011	8	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0440	0.008	2	109.0440	0.000	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.7420	0.000	1	108.7420	0.000	1	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1325	0.015	2	109.1325	0.000	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.1280	0.018	2	109.1280	0.000	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8233	0.162	4	108.8233	0.026	4	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.3360	0.006	2	109.3360	0.000	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.8195	0.026	2	108.8195	0.001	2	108.8320	0.524	1433	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	109.7595	0.016	2	109.7595	0.000	2	108.9355	2.026	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5]H)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.4585	0.006	2	109.4585	0.000	2	108.9355	2.026	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	107.1225	2.295	2	107.1225	5.265	2	108.9355	2.026	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]HH){1|H<1>}	H(CC[6a]N[5]H)	109.4015	0.053	2	109.4015	0.003	2	108.9355	2.026	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]N[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.6525	0.006	2	108.6525	0.000	2	108.6525	0.000	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9391	0.633	16	108.9391	0.401	16	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.8160	0.011	2	108.8160	0.000	2	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1375	0.143	4	109.1375	0.020	4	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.5291	0.867	18	108.6585	0.693	22	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.2407	0.200	4	108.6585	0.693	22	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.2755	0.415	4	109.4138	0.150	6	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.6905	0.039	2	109.4138	0.150	6	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9765	0.157	6	109.0220	0.025	8	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.1585	0.032	2	109.0220	0.025	8	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8890	0.171	6	108.8890	0.029	6	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8710	0.000	1	108.8710	0.000	1	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.3568	0.034	4	109.3568	0.001	4	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.9770	0.000	1	108.9770	0.000	1	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.1362	0.149	11	109.1362	0.022	11	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1307	0.123	6	109.1307	0.015	6	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	108.7605	0.249	11	108.7605	0.062	11	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.7890	0.125	4	108.7890	0.016	4	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0940	0.488	4	109.0940	0.238	4	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	109.0195	0.009	2	109.0195	0.000	2	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|Cu<4>,1|C<3>}	H(CC[6a]N[5]H)	109.4685	0.153	4	109.4685	0.024	4	108.9648	0.268	112	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(NC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CHHN)	H(CN[5]HN)	C(N[5]C[5]2)(NC[6a]C)(H)2	N[5](C[5]C[5,6a]O)2(CHHN){2|C<3>}	H(CN[5]HN)	108.5780	0.004	2	108.5780	0.000	2	108.5780	0.000	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){2|C<4>}	H(CN[5]HN)	109.0264	0.739	21	109.0264	0.547	21	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	108.8907	0.699	4	108.8907	0.489	4	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	108.0853	0.017	3	108.0853	0.000	3	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.0187	0.612	10	109.0187	0.375	10	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.0081	0.532	8	109.0081	0.283	8	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	108.6676	0.088	7	108.6676	0.008	7	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.1180	0.373	2	109.1180	0.139	2	108.9188	0.388	55	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6a]C[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]2H)	109.7989	0.272	10	109.7989	0.074	10	109.7989	0.074	10	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH){2|C<3>,2|H<1>}	H(CN[5]2H)	109.3455	0.033	8	109.3455	0.001	8	109.4969	0.037	22	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH){2|C<3>,2|H<1>}	H(CN[5]2H)	109.7742	0.038	4	109.7742	0.001	4	109.4969	0.037	22	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH){2|C<3>,2|H<1>}	H(CN[5]2H)	109.2650	0.035	3	109.2650	0.001	3	109.4969	0.037	22	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6a]N[5])2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH){2|C<3>,2|H<1>}	H(CN[5]2H)	109.6109	0.051	7	109.6109	0.003	7	109.4969	0.037	22	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5,6a]O)2(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5,6a]O)2(CN[5]HH){2|C<3>}	H(CN[5]2H)	108.5480	0.849	9	108.5480	0.720	9	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH){1|B<4>,1|C<4>}	H(CN[5]2H)	109.4770	0.025	3	109.4770	0.001	3	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH){1|Cl<1>,1|C<4>}	H(CN[5]2H)	110.0903	0.153	6	110.0903	0.023	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH){1|Cl<1>,1|C<4>}	H(CN[5]2H)	109.9634	0.043	12	109.9634	0.002	12	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.3103	0.203	9	109.3103	0.041	9	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.3890	0.272	17	109.4752	0.050	76	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.4906	0.212	50	109.4752	0.050	76	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Co<4>,1|H<1>}	H(CN[5]2H)	109.4537	0.030	4	109.4752	0.050	76	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Cu<5>,1|H<1>}	H(CN[5]2H)	109.6310	0.140	5	109.4752	0.050	76	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.1568	0.036	4	109.1568	0.001	4	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.5182	0.280	63	109.5206	0.076	65	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,2|H<1>}	H(CN[5]2H)	109.5980	0.110	2	109.5206	0.076	65	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH){1|B<4>,1|H<1>}	H(CN[5]2H)	109.3807	0.070	11	109.3807	0.005	11	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.6675	0.057	2	109.6675	0.003	2	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Pd)(C[5]N[5]C)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	110.1550	0.016	3	110.1550	0.000	3	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Pt)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	110.1590	0.090	8	110.1590	0.008	8	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.7742	0.079	8	109.7742	0.006	8	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	110.1295	0.026	2	110.1295	0.001	2	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH){1|C<4>,3|C<3>}	H(CN[5]2H)	110.0202	0.080	6	110.0202	0.006	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,3|C<3>}	H(CN[5]2H)	110.0389	0.080	14	110.0389	0.006	14	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH){1|C<4>,3|C<3>}	H(CN[5]2H)	109.9358	0.095	6	109.9358	0.009	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH){1|C<4>,3|C<3>}	H(CN[5]2H)	109.9155	0.165	6	109.9155	0.027	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]Rh)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]2H)	109.5210	0.084	3	109.5210	0.007	3	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.2567	0.124	19	109.2567	0.015	19	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.6394	0.363	27	109.4377	0.385	137	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.3882	0.661	110	109.4377	0.385	137	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.6395	0.090	6	109.5036	0.058	44	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.4822	0.251	38	109.5036	0.058	44	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.5973	0.050	4	109.5973	0.003	4	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.8376	0.451	29	109.8376	0.203	29	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.2475	0.061	4	109.2475	0.004	4	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.9167	0.259	43	109.9797	0.067	140	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	110.0076	0.254	97	109.9797	0.067	140	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.1946	0.795	8	109.7265	0.210	45	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.8415	0.239	37	109.7265	0.210	45	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Pt)(C[5]N[5]H)(CN[5]HH){1|C<4>}	H(CN[5]2H)	110.0270	0.007	2	110.0270	0.000	2	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.7220	0.019	3	109.7220	0.000	3	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	108.9767	0.283	7	109.4503	0.199	39	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.5539	0.409	32	109.4503	0.199	39	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.6431	0.468	22	109.6623	0.122	40	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.6859	0.093	18	109.6623	0.122	40	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.0578	0.191	18	109.0578	0.037	18	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.7721	0.038	8	109.7721	0.001	8	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH){1|B<4>,1|H<1>}	H(CN[5]2H)	109.3668	0.032	6	109.3668	0.001	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.8280	0.006	2	109.8280	0.000	2	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.0095	0.028	2	109.0095	0.001	2	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.7460	0.058	2	109.8100	0.008	4	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.8740	0.065	2	109.8100	0.008	4	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.8180	0.109	6	109.8180	0.012	6	109.6223	0.213	805	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH){1|H<1>,3|C<3>}	H(CN[5]2H)	109.7290	0.028	2	109.7290	0.001	2	109.7290	0.001	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.8325	0.005	2	109.8325	0.000	2	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.8250	0.000	1	109.8250	0.000	1	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])(N[5]C[5]2)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.8655	0.096	6	109.8655	0.009	6	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH){2|C<3>}	H(CN[5]2H)	109.9506	0.071	7	109.9506	0.005	7	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.3487	0.054	3	109.3487	0.003	3	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.1911	0.509	35	109.1911	0.260	35	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.1398	0.120	20	109.1398	0.014	20	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.5697	0.137	6	109.5697	0.019	6	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.6140	0.540	4	109.6140	0.291	4	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	108.9687	1.616	10	108.9687	2.611	10	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.3907	0.018	3	109.3907	0.000	3	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.5607	0.025	4	109.5607	0.001	4	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH){1|H<1>}	H(CN[5]2H)	110.1970	1.640	2	106.2785	21.385	4	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	102.3600	0.211	2	106.2785	21.385	4	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.6490	0.042	4	109.6490	0.002	4	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.1518	0.687	6	109.1518	0.472	6	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	109.5250	0.026	3	109.5250	0.001	3	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	H(CN[5]2H)	108.6460	1.219	6	108.6460	1.487	6	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]N[5])2(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	H(CN[5]2H)	109.3215	0.084	18	109.3215	0.007	18	109.2233	1.104	142	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]N[6]H)	104.7090	3.103	2	104.7090	9.627	2	104.7090	9.627	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,5a]O)2(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,5a]O)2(CN[6]HH){2|C<3>}	H(CN[5]N[6]H)	108.1515	0.006	2	108.1515	0.000	2	107.8254	1.984	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6]HH){2|C<3>}	H(CN[5]N[6]H)	107.5185	2.092	4	107.5185	4.378	4	107.8254	1.984	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5]O)2(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[5](C[5]C[5]O)2(CN[6]HH){4|H<1>}	H(CN[5]N[6]H)	108.1130	0.007	2	108.1130	0.000	2	107.8254	1.984	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	108.9520	0.166	8	108.9520	0.028	8	108.9520	0.028	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HS)	109.2170	0.010	2	109.2170	0.000	2	109.0258	0.047	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HS)	109.2075	0.159	2	109.2075	0.025	2	109.0258	0.047	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HS)	108.9110	0.042	2	108.9110	0.002	2	109.0258	0.047	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	H(CN[5]HS)	C(N[5]C[5,6a]C[5])(SC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HS)	108.7675	0.064	2	108.7675	0.004	2	109.0258	0.047	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	108.7925	0.095	2	109.3063	0.355	4	109.6241	0.268	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SC[6a]O)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	H(CN[5]HS)	109.8200	0.027	2	109.3063	0.355	4	109.6241	0.268	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	109.9420	0.008	4	109.9420	0.000	4	109.6241	0.268	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a]Rh)(H)2	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS){1|C<3>}	H(CN[5]HS)	109.3800	0.303	4	109.3800	0.092	4	109.3865	0.055	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]N[5])(SC[6a]Ru)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>}	H(CN[5]HS)	109.3995	0.011	2	109.3995	0.000	2	109.3865	0.055	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SeH)	109.1140	0.035	2	109.1140	0.001	2	109.0310	0.029	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ir)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SeH)	109.2480	0.014	2	109.2480	0.000	2	109.0310	0.029	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SeH)	108.8650	0.008	2	108.8650	0.000	2	109.0310	0.029	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5,6a]C[5])(SeC[6a]Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SeH)	108.8970	0.034	2	108.8970	0.001	2	109.0310	0.029	8	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a]Ni)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH){1|C<4>,1|H<1>}	H(CN[5]SeH)	109.3912	0.419	4	109.3912	0.175	4	109.4043	0.106	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH)	H(CN[5]SeH)	C(N[5]C[5]N[5])(SeC[6a]Ru)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH){1|C<3>}	H(CN[5]SeH)	109.4305	0.016	2	109.4305	0.000	2	109.4043	0.106	6	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Hg<4>,1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.4145	0.045	2	109.4205	0.001	4	109.4205	0.001	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.4265	0.015	2	109.4205	0.001	4	109.4205	0.001	4	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	H(CN[5a]N[5]H)	108.9305	0.054	2	108.9305	0.003	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]C[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	H(CN[5a]N[5]H)	109.7080	0.000	1	109.7080	0.000	1	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	H(CN[5a]N[5]H)	109.0640	0.010	2	109.0640	0.000	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Co<4>,1|H<1>}	H(CN[5a]N[5]H)	108.7860	0.211	4	108.8275	0.038	8	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>}	H(CN[5a]N[5]H)	108.8690	0.200	4	108.8275	0.038	8	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Hg<4>,1|H<1>}	H(CN[5a]N[5]H)	109.2580	0.112	4	109.2784	0.007	8	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Mn<6>,1|H<1>}	H(CN[5a]N[5]H)	109.2410	0.000	1	109.2784	0.007	8	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Zn<4>,1|H<1>}	H(CN[5a]N[5]H)	109.3180	0.019	3	109.2784	0.007	8	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	H(CN[5a]N[5]H)	109.2165	0.047	2	109.2165	0.002	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	H(CN[5a]N[5]H)	109.6817	0.430	6	109.6817	0.185	6	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.1950	0.035	2	109.1950	0.001	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	H(CN[5a]N[5]H)	108.9980	0.037	2	108.9980	0.001	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.3650	0.010	2	109.3650	0.000	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.3490	0.039	3	109.3490	0.001	3	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	H(CN[5a]N[5]H)	109.7285	0.006	2	109.7285	0.000	2	109.2422	0.126	40	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	H(CN[5a]N[5]H)	109.0230	0.014	2	109.0230	0.000	2	109.0230	0.000	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH){1|C<4>,1|H<1>}	H(CN[5]N[6]H)	109.2697	0.070	3	109.2697	0.005	3	109.2697	0.005	3	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6a]HH)	H(CN[6a]N[5]H)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CN[6a]HH){2|C<3>}	H(CN[6a]N[5]H)	109.1135	0.012	2	109.1135	0.000	2	109.1135	0.000	2	109.0392	0.563	6103	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C-4:C[5]-2:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.9055	0.077	12	108.9055	0.006	12	108.9216	0.007	14	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C-4:C[5]-2:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.0180	0.013	2	109.0180	0.000	2	108.9216	0.007	14	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	H(CC[6a]N[5]H)	109.0050	0.047	2	109.0050	0.002	2	109.0050	0.002	2	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[5a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5])	H(CC[5a]N[5]H)	C(N[5]C[5]N[5])(C[5a]N[5a]2)(H)2	N[5](C[5]N[5]N)(CC[5a]HH)(N[5]N[5]){1|H<1>}	H(CC[5a]N[5]H)	109.5800	0.048	2	109.5800	0.002	2	109.5800	0.002	2	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]S[6])(CC[6a]HH)(N[5]C[5]){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.5930	0.000	1	108.5930	0.000	1	108.5930	0.000	1	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C-4:C[5]-2:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2935	0.043	2	109.2935	0.002	2	109.2935	0.002	2	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0676	0.116	5	109.0676	0.013	5	109.0676	0.013	5	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[3,5]O)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>}	H(CC[6a]N[5]H)	105.9045	1.173	2	105.9045	1.376	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(CC[6a]N[5]H)	109.1575	0.019	2	109.0553	0.013	6	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0860	0.071	2	109.0553	0.013	6	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|Fe<10>,1|Pd<4>,1|P<4>,2|C<4>}	H(CC[6a]N[5]H)	108.9225	0.009	2	109.0553	0.013	6	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.3825	0.018	2	109.3825	0.000	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.2010	0.030	2	109.2010	0.001	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Cu)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.4375	0.120	4	109.4375	0.014	4	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.4485	0.032	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<5>,1|C<4>}	H(CC[6a]N[5]H)	109.1457	0.276	12	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<6>,1|C<4>}	H(CC[6a]N[5]H)	109.2143	0.052	6	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	H(CC[6a]N[5]H)	109.0674	0.325	13	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<3>}	H(CC[6a]N[5]H)	109.2680	0.393	4	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	H(CC[6a]N[5]H)	109.1644	0.321	18	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<5>,1|C<4>}	H(CC[6a]N[5]H)	108.8835	0.043	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	H(CC[6a]N[5]H)	109.0899	0.450	8	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<4>}	H(CC[6a]N[5]H)	109.3055	0.365	16	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<4>,1|C<4>}	H(CC[6a]N[5]H)	109.1725	0.009	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	H(CC[6a]N[5]H)	109.2335	0.293	26	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<4>}	H(CC[6a]N[5]H)	109.6080	0.000	1	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<8>,1|C<4>}	H(CC[6a]N[5]H)	109.3128	0.254	6	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Li<6>,1|C<4>}	H(CC[6a]N[5]H)	109.2870	0.007	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<3>}	H(CC[6a]N[5]H)	109.1502	0.337	12	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<4>}	H(CC[6a]N[5]H)	109.0825	0.077	8	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Os<9>,1|C<3>}	H(CC[6a]N[5]H)	108.8405	0.013	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	H(CC[6a]N[5]H)	109.3296	0.292	16	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	H(CC[6a]N[5]H)	108.9622	0.182	9	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	H(CC[6a]N[5]H)	109.3853	0.275	14	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	H(CC[6a]N[5]H)	109.4530	0.208	9	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	H(CC[6a]N[5]H)	109.6590	0.085	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<4>,1|C<4>}	H(CC[6a]N[5]H)	109.3790	0.024	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<6>,1|C<4>}	H(CC[6a]N[5]H)	109.4151	0.358	12	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<3>}	H(CC[6a]N[5]H)	109.2305	0.016	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<4>}	H(CC[6a]N[5]H)	109.0260	0.113	6	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	H(CC[6a]N[5]H)	109.2191	0.425	14	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<4>}	H(CC[6a]N[5]H)	108.8532	0.144	5	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<3>}	H(CC[6a]N[5]H)	109.0234	0.161	7	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<4>}	H(CC[6a]N[5]H)	109.9592	0.047	4	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<3>}	H(CC[6a]N[5]H)	109.5605	0.040	4	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<4>}	H(CC[6a]N[5]H)	109.5285	0.011	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<6>,1|C<4>}	H(CC[6a]N[5]H)	109.3060	0.034	2	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	H(CC[6a]N[5]H)	109.2758	0.317	12	109.2346	0.107	262	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.1640	0.127	4	109.1640	0.016	4	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ir)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.2800	0.037	2	109.2800	0.001	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Os)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.3685	0.165	2	108.3685	0.027	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.0311	0.277	22	109.1163	0.097	31	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Pd)(CC[6a]HH)(N[5]N[5]){2|C<4>}	H(CC[6a]N[5]H)	109.3244	0.308	9	109.1163	0.097	31	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Ru)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.9432	0.339	15	108.9432	0.115	15	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.3768	0.064	4	109.3768	0.004	4	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2305	0.268	11	109.1851	0.073	13	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	108.9350	0.102	2	109.1851	0.073	13	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.5625	0.184	4	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.5540	0.034	2	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cd<6>,1|H<1>}	H(CC[6a]N[5]H)	108.8373	0.394	4	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<2>,1|H<1>}	H(CC[6a]N[5]H)	109.8550	0.045	4	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<5>,1|H<1>}	H(CC[6a]N[5]H)	109.0875	0.042	2	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]H)(CC[6a]HH)(N[5]C[5]){1|Cu<6>,1|H<1>}	H(CC[6a]N[5]H)	108.9360	0.341	8	109.2412	0.215	24	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]Pd)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	109.1370	0.020	2	109.1370	0.000	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]N[5]S)(CC[6a]HH)(N[5]C[5]){2|C<3>}	H(CC[6a]N[5]H)	108.7645	0.006	2	108.7645	0.000	2	109.1876	0.174	377	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|C<4>,2|C<3>}	H(CC[6a]N[5]H)	109.2400	4.504	2	109.2400	20.288	2	109.2400	20.288	2	109.1773	0.217	405	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]N[5]H)	109.1310	0.021	2	109.1310	0.000	2	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5]H)	108.4595	0.019	2	108.7600	0.121	4	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0605	0.026	2	108.7600	0.121	4	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	H(CC[6a]N[5]H)	108.8162	0.067	4	108.8162	0.005	4	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5]H)	109.5390	0.030	2	109.5390	0.001	2	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.3470	0.014	2	108.3470	0.000	2	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.1320	0.030	2	109.1320	0.001	2	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.2097	0.040	4	109.2097	0.002	4	108.9721	0.127	20	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	H(CN[5]CH)	109.4390	0.051	2	109.4390	0.003	2	109.4390	0.003	2	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.6055	3.802	2	108.6055	14.456	2	108.6055	14.456	2	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.1090	0.027	2	109.1090	0.001	2	108.9780	0.137	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(CN[5]CH)	109.0850	0.011	2	109.0850	0.000	2	108.9780	0.137	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2555	0.013	2	109.2555	0.000	2	108.9780	0.137	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	108.2880	0.064	2	108.2880	0.004	2	108.9780	0.137	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	H(CN[5]CH)	109.1525	0.046	2	109.1525	0.002	2	108.9780	0.137	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0000	0.016	2	109.0000	0.000	2	109.0000	0.000	2	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.6325	0.224	4	108.6325	0.050	4	107.8637	1.006	8	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(CC[6a]N[5]H)	107.0950	0.850	4	107.0950	0.722	4	107.8637	1.006	8	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1555	0.006	2	109.0204	0.079	10	109.0204	0.079	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.9866	0.307	8	109.0204	0.079	10	109.0204	0.079	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	H(CC[6a]N[5]H)	108.8350	0.008	2	108.8350	0.000	2	108.6522	0.124	16	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(CC[6a]N[5]H)	108.5568	0.048	4	108.5568	0.002	4	108.6522	0.124	16	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]N[5]H)	108.5955	0.556	6	108.6539	0.194	10	108.6522	0.124	16	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.7415	0.223	4	108.6539	0.194	10	108.6522	0.124	16	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	H(CC[6a]N[5]H)	107.6275	0.040	2	107.6275	0.002	2	108.5080	0.463	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	H(CC[6a]N[5]H)	108.6115	0.059	2	108.6115	0.003	2	108.5080	0.463	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7887	0.853	4	108.7887	0.728	4	108.5080	0.463	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(CC[6a]N[5]H)	108.7235	0.040	2	108.7235	0.002	2	108.5080	0.463	10	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.4765	0.009	2	108.4765	0.000	2	108.6437	0.037	4	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8110	0.014	2	108.8110	0.000	2	108.6437	0.037	4	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:P[5]-4:C-4:	C-4:	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.3170	0.133	4	108.3170	0.018	4	108.3170	0.018	4	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.9950	0.021	2	109.9950	0.000	2	110.0515	0.004	4	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]Si[5])(C[6a]C[6a]N[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	110.1080	0.007	2	110.1080	0.000	2	110.0515	0.004	4	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH){1|H<1>,2|O<1>,5|C<3>}	H(CC[6a]N[5]H)	109.3780	0.018	2	109.3780	0.000	2	109.3780	0.000	2	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	H(CN[5]2H)	108.8910	0.298	5	108.8910	0.089	5	108.8910	0.089	5	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	109.2280	0.033	2	109.2280	0.001	2	109.2280	0.001	2	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HP)	109.7398	0.930	4	109.7398	0.865	4	109.6242	0.387	8	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:P-3:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	109.5087	0.053	4	109.5087	0.003	4	109.6242	0.387	8	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	H(CN[5a]N[5]H)	108.3540	0.038	2	108.3540	0.001	2	108.7273	0.419	3	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]N[5]H)	109.4740	0.000	1	109.4740	0.000	1	108.7273	0.419	3	108.8646	0.540	112	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:2:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C-4:N[5]-2:P[5]-2:	C-4:	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5])	H(CC[6a]N[5]H)	C(N[5]N[5]P[5])(C[6a]C[6a]2)(H)2	N[5](CC[6a]HH)(N[5]N[5])(P[5]C[5]){1|C<4>}	H(CC[6a]N[5]H)	109.4979	0.116	8	109.4979	0.013	8	109.4979	0.013	8	109.4979	0.013	8	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5a]N[5]H)	109.2530	0.102	2	109.2530	0.010	2	109.2530	0.010	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	H(CC[5a]N[5]H)	108.6725	0.009	2	108.6725	0.000	2	109.0048	0.070	6	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	H(CC[5a]N[5]H)	109.2410	0.016	2	109.2410	0.000	2	109.0048	0.070	6	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	H(CC[5a]N[5]H)	109.1010	0.031	2	109.1010	0.001	2	109.0048	0.070	6	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]S[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH){2|C<3>}	H(CC[5a]N[5]H)	108.8090	0.021	2	108.8090	0.000	2	108.8090	0.000	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	109.3837	0.057	4	109.3837	0.003	4	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	109.2370	0.000	1	109.2370	0.000	1	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[5]H)	108.7185	0.025	2	108.7185	0.001	2	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH){1|C<4>,2|H<1>}	H(CC[6]N[5]H)	109.6478	0.163	4	109.6478	0.027	4	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH){2|H<1>}	H(CC[6]N[5]H)	109.0415	0.023	4	109.0415	0.001	4	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.9750	0.049	2	108.9750	0.002	2	109.2304	0.105	17	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.1935	0.028	2	109.1935	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.5545	0.016	2	109.5545	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.8075	0.036	2	108.8075	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[5]H)	109.2515	0.013	2	109.2515	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.8502	0.072	6	108.8679	0.005	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]N[5]H)	108.9210	0.014	2	108.8679	0.005	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6a]N[5]H)	108.9850	0.017	2	108.9850	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]N[5]H)	108.5880	0.133	6	108.5880	0.018	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.9875	0.005	2	108.9875	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.5990	0.021	2	108.5990	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	H(CC[6a]N[5]H)	108.6185	0.037	2	108.6185	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(CC[6a]N[5]H)	108.7565	0.008	2	108.6372	0.019	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	108.5180	0.025	2	108.6372	0.019	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.3595	0.006	2	109.3595	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]N[5]H)	109.5835	0.018	2	109.5835	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	H(CC[6a]N[5]H)	108.9765	0.141	4	108.9077	0.015	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.8390	0.038	4	108.9077	0.015	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.3225	0.006	2	109.3225	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7420	0.006	2	108.7420	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7185	0.009	2	108.7185	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.0500	1.249	2	108.0500	1.559	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0250	0.018	2	108.9676	0.059	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.9532	0.273	8	108.9676	0.059	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	106.3455	1.305	2	107.4233	2.804	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,4|C<3>}	H(CC[6a]N[5]H)	107.7890	2.273	2	107.4233	2.804	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]N[5]H)	108.1355	1.883	2	107.4233	2.804	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.4600	0.021	2	108.8544	1.106	32	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[6a]N[5]H)	109.1375	0.077	2	108.8544	1.106	32	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|N<3>}	H(CC[6a]N[5]H)	108.6065	0.021	2	108.8544	1.106	32	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(CC[6a]N[5]H)	108.9102	0.279	22	108.8544	1.106	32	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.2270	3.162	4	108.8544	1.106	32	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	109.0370	0.000	1	109.0370	0.000	1	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(CC[6a]N[5]H)	109.0510	0.000	1	109.0510	0.000	1	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.1032	0.219	6	108.1032	0.048	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|C<3>}	H(CC[6a]N[5]H)	108.9605	0.025	2	108.9605	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5]H)	108.1293	0.923	6	108.1293	0.852	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	H(CC[6a]N[5]H)	108.5404	0.221	8	108.5404	0.049	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.9803	0.353	3	108.9803	0.125	3	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.7750	0.018	2	108.7750	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.0270	0.297	8	109.0270	0.088	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<2>,5|H<1>}	H(CC[6a]N[5]H)	108.0665	3.881	2	108.0665	15.065	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]N[5]H)	108.5195	0.012	2	108.5195	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	108.5755	0.011	2	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]N[5]H)	108.7242	0.026	5	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	H(CC[6a]N[5]H)	108.5870	0.027	2	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.1645	0.009	2	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	108.7640	0.005	4	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.3298	0.154	4	108.8763	0.088	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	108.3780	0.000	1	108.3780	0.000	1	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]N[5]H)	109.6690	0.000	1	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]N[5]H)	108.7835	0.059	2	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|S<4>,2|H<1>}	H(CC[6a]N[5]H)	108.4705	0.053	2	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	H(CC[6a]N[5]H)	108.8555	0.040	4	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	108.4435	1.433	2	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6a]N[5]H)	108.5185	0.304	6	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	109.0902	0.154	8	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	108.8795	0.243	11	108.8332	0.163	36	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.4207	0.061	4	108.6262	0.105	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]N[5]H)	109.0370	0.091	2	108.6262	0.105	6	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2450	0.040	2	109.2450	0.002	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.9950	0.008	2	108.9950	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.5340	1.029	3	108.6985	0.463	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.7972	0.500	5	108.6985	0.463	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.2040	0.017	2	109.2040	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.6560	0.000	1	108.6560	0.000	1	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.9840	0.030	2	108.9840	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	108.7230	0.055	4	108.7409	0.036	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	108.7454	0.212	16	108.7409	0.036	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.8600	0.093	2	108.8065	0.026	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]N[5]H)	108.6460	0.087	4	108.8065	0.026	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	108.8560	0.000	1	108.8065	0.026	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	109.0130	0.031	2	108.8065	0.026	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8790	0.000	1	108.8065	0.026	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	109.1450	0.000	2	109.1450	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	108.7742	0.305	5	108.7742	0.093	5	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1320	0.006	2	109.1320	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.9190	0.000	1	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	107.6475	0.723	2	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]N[5]H)	109.1180	0.025	2	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	108.5302	0.462	4	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.8357	0.162	7	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.5725	4.823	2	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.3143	0.042	4	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|I<1>}	H(CC[6a]N[5]H)	109.1875	0.029	2	108.8832	1.311	24	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.2170	0.004	2	109.2170	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0155	0.341	6	108.9798	0.126	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	H(CC[6a]N[5]H)	108.9440	0.396	6	108.9798	0.126	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2334	0.231	19	109.2334	0.053	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7105	0.066	4	108.7105	0.004	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	107.7272	2.706	14	108.3757	5.042	25	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|S<2>,2|H<1>}	H(CC[6a]N[5]H)	109.0430	0.031	2	108.3757	5.042	25	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.7765	3.348	2	108.3757	5.042	25	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	H(CC[6a]N[5]H)	109.0819	0.254	7	108.3757	5.042	25	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	H(CC[6a]N[5]H)	109.2760	0.027	2	109.1691	0.016	7	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9390	0.000	1	109.1691	0.016	7	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>}	H(CC[6a]N[5]H)	109.2370	0.030	2	109.1691	0.016	7	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){3|H<1>}	H(CC[6a]N[5]H)	109.1095	0.025	2	109.1691	0.016	7	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7121	0.405	20	108.7121	0.164	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0005	0.070	2	109.1584	0.018	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2110	0.105	6	109.1584	0.018	8	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.6725	0.273	12	108.6725	0.074	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8555	0.242	4	108.8555	0.059	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	108.9360	0.023	2	108.7706	0.091	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	108.5575	0.088	4	108.7706	0.091	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[5]H)	108.5520	0.030	2	108.7706	0.091	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.2500	0.020	2	108.7706	0.091	10	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.3665	0.084	2	109.0557	0.109	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	H(CC[6a]N[5]H)	109.0956	0.233	16	109.0557	0.109	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.4255	0.479	2	109.0557	0.109	20	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.1585	0.141	4	109.1585	0.020	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.7710	0.027	2	108.7710	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|S<2>}	H(CC[6a]N[5]H)	109.1070	0.044	2	109.1081	0.020	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|S<2>}	H(CC[6a]N[5]H)	109.1030	0.069	4	109.1081	0.020	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	109.1580	0.245	4	109.1081	0.020	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	109.0195	0.033	2	109.1081	0.020	12	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	109.2180	0.011	2	109.2180	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	108.5600	0.000	1	108.5600	0.000	1	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	105.3605	2.003	2	105.3605	4.013	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7797	0.149	3	108.7797	0.022	3	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1795	0.018	2	109.1795	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9850	0.020	2	108.5123	0.675	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7481	0.142	13	108.5123	0.675	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	107.5095	1.496	4	108.5123	0.675	19	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	107.5520	1.356	4	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]N[5]H)	109.1525	0.018	2	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2212	0.235	12	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.6565	0.037	2	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.0050	0.130	4	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.7300	0.016	2	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|S<3>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.8618	0.200	4	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7395	0.069	2	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	109.2178	0.223	5	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){3|C<3>,3|H<1>}	H(CC[6a]N[5]H)	108.2360	1.571	2	108.8576	0.505	39	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	H(CC[6a]N[5]H)	109.1080	1.804	4	109.1080	3.256	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.3830	0.256	4	109.3830	0.066	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.1110	0.052	2	109.0772	0.003	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5]H)	109.0435	0.039	2	109.0772	0.003	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH){3|C<3>}	H(CC[6a]N[5]H)	108.6135	0.040	2	108.6135	0.002	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.5945	0.018	2	108.5945	0.000	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9658	0.211	13	108.9658	0.045	13	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[5]H)	109.1248	0.216	4	109.1248	0.047	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.6850	0.028	2	108.6850	0.001	2	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.8870	0.075	4	108.8870	0.006	4	108.8119	0.656	553	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(CCH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CCH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	H(CN[5]CH)	109.4540	0.038	2	109.4540	0.001	2	109.4540	0.001	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	H(CN[5]CH)	108.9285	0.030	2	108.9285	0.001	2	108.9285	0.001	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.5275	0.025	2	109.5275	0.001	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	109.0655	0.035	2	109.0655	0.001	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){4|C<3>}	H(CN[5]CH)	108.9560	0.020	2	108.9560	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	H(CN[5]CH)	109.2905	0.012	2	109.2905	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|H<1>}	H(CN[5]CH)	109.4205	0.021	4	109.2092	0.034	16	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.1388	0.157	12	109.2092	0.034	16	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	H(CN[5]CH)	108.4350	0.016	2	108.4350	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.8425	0.033	2	108.8425	0.001	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CClC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CClC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.3505	0.008	2	109.3505	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	107.4823	3.564	8	107.4823	12.704	8	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	H(CN[5]CH)	108.9079	0.234	9	109.0678	0.500	42	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	109.1114	0.786	33	109.0678	0.500	42	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|C<3>}	H(CN[5]CH)	108.9580	0.037	2	108.9580	0.001	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.4350	0.011	2	109.4350	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	109.2690	0.021	2	109.2690	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	H(CN[5]CH)	108.6050	0.006	2	108.6050	0.000	2	108.9491	1.512	88	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.2385	0.087	4	109.2385	0.008	4	109.0820	0.336	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CCO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	108.9855	0.015	2	108.9855	0.000	2	109.0820	0.336	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CC[6a]O)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]O)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.3079	0.122	14	109.3079	0.015	14	109.0820	0.336	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CNO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CNO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	107.2305	1.648	2	107.2305	2.717	2	109.0820	0.336	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.0918	0.119	11	109.0918	0.014	11	109.0820	0.336	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(CC[6]N[5]H)	108.7546	0.518	8	108.7546	0.268	8	108.7546	0.268	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|C<3>}	H(CC[6]N[5]H)	108.7860	0.047	2	108.7860	0.002	2	108.7860	0.002	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH){6|C<3>}	H(CC[6a]N[5]H)	108.5025	0.016	2	108.5025	0.000	2	108.3757	0.024	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,7|C<3>}	H(CC[6a]N[5]H)	108.1600	0.004	2	108.1600	0.000	2	108.3757	0.024	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH){6|C<3>}	H(CC[6a]N[5]H)	108.4202	0.102	4	108.4202	0.010	4	108.3757	0.024	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]O[5]O)(CC[6a]HH){1|C<3>,5|H<1>}	H(CC[6a]N[5]H)	108.4040	0.144	2	108.4040	0.021	2	108.4040	0.021	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(CC[6a]N[5]H)	108.7805	0.005	2	108.7805	0.000	2	108.4269	0.746	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.1803	0.792	4	108.1803	0.628	4	108.4269	0.746	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	H(CC[6a]N[5]H)	107.3355	1.262	2	108.0443	1.201	4	108.4269	0.746	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,4|C<4>,5|H<1>}	H(CC[6a]N[5]H)	108.7530	0.007	2	108.0443	1.201	4	108.4269	0.746	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH){2|H<1>,2|N<3>,3|C<3>}	H(CC[6a]N[5]H)	109.3320	0.006	2	109.3320	0.000	2	108.4269	0.746	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.2795	0.045	2	108.2795	0.002	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]N[5]H)	109.2620	0.000	1	109.2620	0.000	1	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.9530	0.023	2	108.9530	0.001	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]N[5]H)	109.0700	0.047	2	109.0700	0.002	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.0265	0.212	4	109.0265	0.045	4	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|Fe<10>,3|C<4>,6|H<1>}	H(CC[6a]N[5]H)	108.5750	0.011	2	108.5750	0.000	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	H(CC[6a]N[5]H)	107.3390	1.896	2	107.3390	3.597	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	108.7770	0.028	2	108.7770	0.001	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CC[6a]N[5]H)	108.6505	0.028	2	108.9420	0.121	28	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	H(CC[6a]N[5]H)	108.9644	0.351	26	108.9420	0.121	28	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	H(CC[6a]N[5]H)	108.7067	0.087	4	108.7067	0.008	4	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.7318	0.280	24	108.5508	0.490	69	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.4542	0.830	45	108.5508	0.490	69	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.2390	0.014	2	109.2390	0.000	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7963	0.077	4	108.7963	0.006	4	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(CC[6a]N[5]H)	107.5065	0.672	2	107.5065	0.452	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]N[5]H)	106.4940	2.752	2	106.4940	7.574	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	109.0775	0.016	2	109.0775	0.000	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.6880	0.018	2	108.6880	0.000	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH){3|H<1>,5|C<3>}	H(CC[6a]N[5]H)	108.5535	0.006	2	108.5535	0.000	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	H(CC[6a]N[5]H)	108.5295	0.045	2	108.5295	0.002	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|C<3>}	H(CC[6a]N[5]H)	109.4730	0.000	1	109.4730	0.000	1	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7078	0.475	4	108.7078	0.225	4	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]N[5]H)	108.3725	0.046	2	108.3725	0.002	2	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[5]H)	108.7715	0.015	2	108.5184	0.078	7	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.3060	0.119	4	108.5184	0.078	7	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	108.8620	0.000	1	108.5184	0.078	7	108.6307	0.482	150	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	H(CC[6a]N[5]H)	108.4375	0.028	2	108.4375	0.001	2	108.7076	0.030	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.8150	0.011	2	108.7700	0.003	4	108.7076	0.030	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(CC[6a]N[5]H)	108.7250	0.010	2	108.7700	0.003	4	108.7076	0.030	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]N[5]H)	108.8530	0.004	2	108.8530	0.000	2	108.7076	0.030	8	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.2350	0.153	4	109.2350	0.023	4	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH){1|O<2>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	106.8805	0.975	2	106.8805	0.951	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	107.8950	2.673	2	107.8950	7.144	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.9120	0.025	2	108.9120	0.001	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	107.3055	1.767	2	107.3055	3.123	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	H(CC[6a]N[5]H)	109.3653	0.799	8	109.3653	0.638	8	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH){1|N<3>,3|C<4>,4|H<1>}	H(CC[6a]N[5]H)	108.4990	0.038	2	108.4990	0.001	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[5]H)	109.5225	0.040	2	109.5225	0.002	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.8940	0.091	2	108.7118	1.592	9	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.5210	0.019	3	108.7118	1.592	9	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	107.6290	1.058	2	108.7118	1.592	9	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){3|H<1>,4|C<4>}	H(CC[6a]N[5]H)	108.3985	2.652	2	108.7118	1.592	9	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.4458	0.181	4	109.4458	0.033	4	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]N[5]H)	109.2580	0.025	2	109.2580	0.001	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH){6|C<3>}	H(CC[6a]N[5]H)	108.0585	0.015	2	108.0585	0.000	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(CC[6a]N[5]H)	107.3528	2.328	4	107.3142	4.766	6	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	H(CC[6a]N[5]H)	107.2370	2.749	2	107.3142	4.766	6	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH){2|C<3>,2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	108.6690	0.020	2	108.6690	0.000	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.6155	0.033	2	108.6155	0.001	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH){2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	108.7450	0.000	1	108.7450	0.000	1	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,6|H<1>}	H(CC[6a]N[5]H)	108.8825	0.026	2	108.8825	0.001	2	108.6236	1.611	54	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	H(CC[6a]N[5]H)	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.7315	0.073	2	108.6343	0.031	3	108.6343	0.031	3	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.4400	0.000	1	108.6343	0.031	3	108.6343	0.031	3	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.9017	0.023	3	108.9017	0.001	3	108.9017	0.001	3	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	H(CN[5]HN)	C(N[5]C[5]2)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	H(CN[5]HN)	108.5920	2.935	4	108.5920	8.616	4	108.5920	8.616	4	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[3x5]C[5])2(H)2	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[3x5]C[5])2(H)2	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(CN[5]2H)	108.6886	0.114	66	108.6886	0.013	66	108.6886	0.013	66	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(CN[5]2H)	108.8181	0.174	23	108.8181	0.030	23	108.6481	0.048	183	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])2(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5,6]C[5])2(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(CN[5]2H)	108.6237	0.214	160	108.6237	0.046	160	108.6481	0.048	183	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2H)	108.7228	0.147	18	108.7228	0.022	18	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2H)	108.6146	0.103	8	108.6146	0.011	8	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|C<4>,3|H<1>}	H(CN[5]2H)	108.9874	0.199	11	108.7080	0.206	22	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|H<1>,3|C<4>}	H(CN[5]2H)	108.4287	0.470	11	108.7080	0.206	22	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<4>,4|C<3>}	H(CN[5]2H)	108.6529	0.132	7	108.6529	0.017	7	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	H(CN[5]2H)	108.7234	0.188	329	108.6897	0.251	349	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	H(CN[5]2H)	108.1362	1.911	20	108.6897	0.251	349	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CN[5]2H)	108.6635	0.015	2	108.8367	0.080	1687	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2H)	108.8372	0.283	1666	108.8367	0.080	1687	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]2H)	108.7706	0.194	15	108.8367	0.080	1687	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	H(CN[5]2H)	108.9825	0.035	4	108.8367	0.080	1687	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(CN[5]2H)	108.7133	0.279	4	108.7133	0.078	4	108.8082	0.112	2095	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	H(CN[5]2H)	108.8132	0.519	33	108.8132	0.269	33	108.8132	0.269	33	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH){1|C<3>,2|H<1>}	H(CN[5]2H)	108.7655	0.067	2	108.7655	0.005	2	109.1181	0.158	14	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|O<1>}	H(CN[5]2H)	108.9633	0.031	6	108.9633	0.001	6	109.1181	0.158	14	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH){1|C<3>,2|H<1>}	H(CN[5]2H)	109.3903	0.491	6	109.3903	0.241	6	109.1181	0.158	14	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	H(CN[5]N[6]H)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]N[6]H)	108.7290	0.100	12	108.7290	0.010	12	108.7290	0.010	12	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	H(CN[5]N[6]H)	109.0400	0.016	2	109.0400	0.000	2	109.0400	0.000	2	108.7943	0.291	3365	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C-4:N[5]-2:	C-4:	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5]){1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.5190	0.011	2	108.5190	0.000	2	108.5190	0.000	2	109.1110	0.147	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:N[5]-2:	C-4:	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5])	H(CC[6a]N[5]H)	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]N[5]H)	109.0865	0.018	2	109.0865	0.000	2	109.0865	0.000	2	109.1110	0.147	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	H(CC[6a]N[5]H)	109.2360	0.308	4	109.2360	0.095	4	109.3165	0.073	6	109.1110	0.147	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	H(CC[6a]N[5]H)	109.4775	0.046	2	109.4775	0.002	2	109.3165	0.073	6	109.1110	0.147	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	H(CN[5]CH)	107.2270	2.251	2	107.2270	5.069	2	107.2270	5.069	2	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.5470	0.025	2	108.5470	0.001	2	108.8425	1.549	4	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.1380	2.073	2	109.1380	4.298	2	108.8425	1.549	4	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[6a]N[5]H)	108.8387	0.308	9	108.8387	0.095	9	108.8387	0.095	9	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	108.4570	0.079	2	108.4570	0.006	2	108.4570	0.006	2	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	H(CN[5]2H)	109.0345	0.227	4	109.0345	0.051	4	109.0345	0.051	4	108.6869	0.790	21	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:1:1:	5:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	Si[5,5]-5:C-4:N[5]-2:	C-4:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5])	H(CC[6a]N[5]H)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)2	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]N[5]H)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:2:1:	3:3:4:	4:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO)	H(CC[5]N[5]O)	C(C[5]C[5]N[5])(N[5]C[5]N[5])(OH)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO){1|C<4>,1|H<1>}	H(CC[5]N[5]O)	108.0625	0.312	2	108.0625	0.097	2	108.0625	0.097	2	108.0625	0.097	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:2:1:	3:4:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	H(CC[6a]N[5]C)	107.3400	0.187	2	107.3400	0.035	2	107.3400	0.035	2	107.3400	0.035	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:2:1:	4:3:4:	4:	N[5]-3:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	H(CN[5]CO)	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	H(CN[5]CO)	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:2:1:	5:4:2:	4:	N[5]-3:C[6a]-3:C-2:H-1:	Si[5,5]-5:C-4:N[5]-2:	C-4:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5])	H(CC[6a]N[5]C)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](Si[5,5]N[5]O[5]2C)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]N[5]C)	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	H(CC[6]2N[5])	110.2885	0.022	2	110.2885	0.000	2	109.1126	1.445	5	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	H(CC[6]2N[5])	107.4520	0.000	1	107.4520	0.000	1	109.1126	1.445	5	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H)	H(CC[6]2N[5])	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	H(CC[6]2N[5])	108.7670	0.127	2	108.7670	0.016	2	109.1126	1.445	5	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	H(CC[6]N[5]C)	108.8960	0.041	2	108.8960	0.002	2	108.8750	0.002	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	H(CC[6]N[5]C)	108.8330	0.000	1	108.8330	0.000	1	108.8750	0.002	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H){2|C<4>}	H(CC[6a]2N[5])	106.5045	0.308	2	106.5045	0.095	2	106.5030	0.973	9	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	H(CC[6a]2N[5])	106.3770	0.885	3	106.3770	0.784	3	106.5030	0.973	9	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H){1|C<3>,1|H<1>}	H(CC[6a]2N[5])	104.5490	0.000	1	104.5490	0.000	1	106.5030	0.973	9	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	H(CC[6a]2N[5])	107.5490	0.096	2	107.5490	0.009	2	106.5030	0.973	9	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	H(CC[6a]2N[5])	106.7400	0.000	1	106.7400	0.000	1	106.5030	0.973	9	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.5175	0.210	2	106.5175	0.044	2	106.2073	0.311	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[3]O)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH){1|C<3>}	H(CC[6a]N[5]C)	105.5870	0.000	1	105.5870	0.000	1	106.2073	0.311	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]HN)	H(CC[6a]N[5]N)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]HN){2|C<3>}	H(CC[6a]N[5]N)	105.7425	2.193	2	105.7425	4.808	2	106.4185	2.414	4	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5]O)2(CC[6a]HN)	H(CC[6a]N[5]N)	C(C[6a]C[6a]2)(N[5]C[5]2)(NCH)(H)	N[5](C[5]C[5]O)2(CC[6a]HN){4|H<1>}	H(CC[6a]N[5]N)	106.5440	0.000	1	106.5440	0.000	1	106.4185	2.414	4	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	H(CC[6a]N[5]N)	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a]H)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	H(CC[6a]N[5]N)	107.6450	0.000	1	107.6450	0.000	1	106.4185	2.414	4	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[5]-3:S-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS)	H(CC[6a]N[5]S)	C(C[6a]C[6a]2)(N[5]C[5]2)(SC[6a]Pd)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS){1|C<3>,1|H<1>}	H(CC[6a]N[5]S)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN)	H(CN[5]CN)	C(N[5]C[5]2)(CClC)(NCS)(H)	N[5](C[5]C[5]O)2(CCHN){2|H<1>}	H(CN[5]CN)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]N[5]C)	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	H(CC[6a]2N[5])	106.5680	0.092	2	106.5680	0.008	2	105.8634	0.400	8	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2N[5])	105.6827	0.631	3	105.6827	0.398	3	105.8634	0.400	8	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2N[5])	105.2615	0.255	2	105.2615	0.065	2	105.8634	0.400	8	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2N[5])	106.2000	0.000	1	106.2000	0.000	1	105.8634	0.400	8	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	105.9770	0.000	1	105.9770	0.000	1	105.9770	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN)	H(CN[5]CN)	C(N[5]C[5]2)(NC[6a]H)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	H(CN[5]CN)	107.6660	0.134	2	107.6660	0.018	2	107.6660	0.018	2	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]2)2(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.4430	0.023	2	106.4430	0.001	2	106.4430	0.001	2	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	H(CN[5]2C)	108.0547	1.233	4	108.0547	1.520	4	108.0580	1.145	10	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH){1|H<1>,3|C<3>}	H(CN[5]2C)	107.8075	1.212	4	107.8075	1.469	4	108.0580	1.145	10	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH){1|H<1>,3|C<3>}	H(CN[5]2C)	108.5655	0.756	2	108.5655	0.571	2	108.0580	1.145	10	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CCH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	106.1010	1.079	2	106.1010	1.164	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CNN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CNN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.8413	0.424	8	106.8413	0.180	8	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.7480	0.000	1	108.7480	0.000	1	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.8573	0.080	3	107.8573	0.006	3	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	107.9010	0.038	2	107.9010	0.001	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CNO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	109.4880	0.008	2	109.4880	0.000	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.8785	0.013	2	108.8785	0.000	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.7020	0.076	2	108.7020	0.006	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	107.1577	0.987	4	107.1577	0.975	4	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.9587	3.884	4	108.9587	15.084	4	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	109.1620	0.000	1	109.1620	0.000	1	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	109.2973	0.306	4	109.2973	0.093	4	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.9784	0.397	26	107.9784	0.158	26	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	109.2535	0.019	2	109.2535	0.000	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(COO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.3330	0.338	2	108.3330	0.114	2	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CSS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CSS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.1480	0.000	1	106.1480	0.000	1	108.0116	1.568	66	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	107.3270	0.046	3	107.3270	0.002	3	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.7062	0.609	9	107.7062	0.371	9	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.1018	0.211	15	108.1018	0.045	15	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.3022	0.160	13	107.3022	0.026	13	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){1|C<3>,1|H<1>}	H(CN[5]3)	107.9817	0.056	3	107.8097	0.025	12	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	107.7523	0.138	9	107.8097	0.025	12	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.0543	0.022	3	107.0543	0.000	3	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	108.0289	1.029	44	108.1770	0.949	55	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.7694	0.302	11	108.1770	0.949	55	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	109.0652	0.743	18	109.0652	0.552	18	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.8380	1.612	6	107.8380	2.599	6	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.3253	2.361	10	108.3253	5.573	10	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	108.1377	0.481	19	108.1377	0.232	19	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.8412	0.712	9	107.8412	0.507	9	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.6418	0.060	6	108.6418	0.004	6	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	109.0220	0.079	3	109.0220	0.006	3	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.9154	0.843	9	108.9154	0.710	9	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.8858	0.244	9	107.8858	0.060	9	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.1603	0.067	3	108.1603	0.005	3	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	108.5329	0.249	19	108.5329	0.062	19	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.5570	0.009	3	107.5570	0.000	3	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.0695	0.247	6	107.0695	0.061	6	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H){2|H<1>}	H(CN[5]3)	107.2633	0.227	6	107.2633	0.052	6	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H)	H(CN[5]3)	C(N[5]C[5]N[5])3(H)	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	H(CN[5]3)	107.7006	0.540	7	107.7006	0.291	7	108.1085	0.856	243	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNS)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	106.7910	0.000	1	106.7910	0.000	1	106.1843	0.330	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(COO)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	105.8810	0.330	2	105.8810	0.109	2	106.1843	0.330	3	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5]-3:S-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS)	H(CN[5a]N[5]S)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(SFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS){1|C<4>,1|H<1>}	H(CN[5a]N[5]S)	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H)	H(CN[5a]2N[5])	C(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H){1|C<4>,1|H<1>}	H(CN[5a]2N[5])	103.1350	0.465	2	103.1350	0.216	2	103.1350	0.216	2	107.9103	1.461	366	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5])	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]N[5]H)(CC[6a]2H)(N[5]C[5]){2|H<1>}	H(CC[6a]2N[5])	107.3600	0.000	1	107.3600	0.000	1	107.1265	0.109	2	107.1265	0.109	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5])	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]S[5]S)(CC[6a]2H)(N[5]C[5]){1|H<1>}	H(CC[6a]2N[5])	106.8930	0.000	1	106.8930	0.000	1	107.1265	0.109	2	107.1265	0.109	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:4:3:	4:	N[5]-3:N[5]-3:C[5]-3:H-1:	C[5]-3:C-4:N[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu)	H(CC[5]N[5]2)	C(N[5]C[5]N[5])2(C[5]N[5]2)(H)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu){1|H<1>,3|C<3>}	H(CC[5]N[5]2)	105.0580	0.013	2	105.0580	0.000	2	105.0580	0.000	2	105.0580	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	3:4:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]2N[5])	106.2580	0.000	1	106.2580	0.000	1	106.2580	0.000	1	106.2580	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:2:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|C<3>}	H(CC[6a]2N[5])	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	H(CC[5]N[5]2)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[5]N[5]2)	107.5425	0.076	2	107.5425	0.006	2	108.9975	1.361	6	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	H(CC[5]N[5]2)	C(C[5]C[5]N[5])(N[5]C[5]N[5])2(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	H(CC[5]N[5]2)	109.7250	0.386	4	109.7250	0.149	4	108.9975	1.361	6	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.3135	0.013	2	107.3135	0.000	2	107.6707	0.153	18	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	H(CC[6]N[5]2)	107.9147	0.129	4	107.9147	0.017	4	107.6707	0.153	18	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	H(CC[6]N[5]2)	107.8956	0.108	8	107.8956	0.012	8	107.6707	0.153	18	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H)	H(CC[6]N[5]2)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	H(CC[6]N[5]2)	107.1555	0.409	4	107.1555	0.167	4	107.6707	0.153	18	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.7222	1.266	6	107.7222	1.604	6	107.4421	0.907	13	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.9960	0.034	2	107.9960	0.001	2	107.4421	0.907	13	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	106.8844	0.237	5	106.8844	0.056	5	107.4421	0.907	13	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(C[6a]C[6,6a]C[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	106.9020	0.047	2	106.9020	0.002	2	106.1955	1.103	10	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.8085	0.036	2	107.8085	0.001	2	106.1955	1.103	10	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(C[6a]C[6a]N[6a])(N[5]C[5]N[5])2(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	105.4223	0.163	6	105.4223	0.026	6	106.1955	1.103	10	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[5](CC[6a]N[6]H)(C[5]C[5]O)2	H(CC[6a]N[5]N[6])	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[5](CC[6a]N[6]H)(C[5]C[5]O)2{4|H<1>}	H(CC[6a]N[5]N[6])	105.2130	0.000	1	105.2130	0.000	1	105.2130	0.000	1	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[5a]-3:N[5]-3:H-1:	C-4:C[5]-3:N[5]-3:	C-4:	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	H(CC[6a]N[5a]N[5])	C(C[6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	H(CC[6a]N[5a]N[5])	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	H(CC[6]N[5]2)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.6820	0.045	2	107.6820	0.002	2	107.3560	0.143	4	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	H(CC[6]N[5]2)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6]N[5]2)	107.0300	0.031	2	107.0300	0.001	2	107.3560	0.143	4	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:C[5]-3:N[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	106.3500	0.000	1	106.3500	0.000	1	106.3500	0.000	1	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	106.9245	0.215	4	106.9245	0.046	4	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	106.9951	0.989	16	106.9951	0.978	16	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.2046	0.782	16	107.2046	0.611	16	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	107.5972	0.484	18	107.5972	0.234	18	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	106.3685	0.050	2	106.3685	0.003	2	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	104.1767	0.243	6	104.1767	0.059	6	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	107.9410	0.017	2	107.9410	0.000	2	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	107.0167	0.235	3	107.0167	0.055	3	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	107.0557	0.590	16	107.0557	0.349	16	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	105.3845	0.285	4	105.3845	0.081	4	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	106.5770	0.037	2	106.5770	0.001	2	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[6a]N[5]2)	105.1679	0.750	8	105.1679	0.563	8	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H)	H(CC[6a]N[5]2)	C(N[5]C[5]N[5])2(C[6a]C[6a]2)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H){2|H<1>}	H(CC[6a]N[5]2)	105.8175	0.733	2	105.8175	0.538	2	106.7367	1.321	99	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:C[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	H(CN[5a]C[5]N[5])	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]N[5]2)(H)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CN[5a]C[5]N[5])	106.8000	0.064	2	106.8000	0.004	2	106.8000	0.004	2	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	H(CN[5a]N[5]2)	107.9735	0.050	2	107.9735	0.003	2	108.5281	0.760	24	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CN[5a]N[5]2)	108.0795	0.866	4	108.0795	0.750	4	108.5281	0.760	24	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H){2|H<1>}	H(CN[5a]N[5]2)	108.5646	1.242	8	108.5646	1.543	8	108.5281	0.760	24	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	H(CN[5a]N[5]2)	108.8470	0.540	4	108.8470	0.292	4	108.5281	0.760	24	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:3:	4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	H(CN[5a]N[5]2)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CN[5a]N[5]2)	108.7508	0.530	6	108.7508	0.281	6	108.5281	0.760	24	107.1757	1.576	179	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	106.2710	0.000	1	106.2710	0.000	1	106.5863	0.159	3	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H){2|C<4>,2|H<1>}	H(CC[6a]2N[5])	107.0340	0.000	1	107.0340	0.000	1	106.5863	0.159	3	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	106.4540	0.000	1	106.4540	0.000	1	106.5863	0.159	3	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	H(CC[6a]N[5]C)	106.9220	0.000	1	107.2542	0.138	4	107.2542	0.138	4	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	107.3650	0.365	3	107.2542	0.138	4	107.2542	0.138	4	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]C)	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]N[5]C)	107.3045	0.416	4	107.3404	0.242	7	107.3404	0.242	7	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|O<1>,2|C<3>,3|H<1>}	H(CC[6a]N[5]C)	107.3883	0.678	3	107.3404	0.242	7	107.3404	0.242	7	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5]S[5])(C[6a]C[6a]2)2(H)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H){1|H<1>,2|C<3>}	H(CC[6a]2N[5])	106.4750	0.000	1	106.4750	0.000	1	106.4750	0.000	1	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5a]-3:N[5]-3:C-3:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]S[5])(CC[6a]O)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	H(CN[5a]N[5]C)	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.1602	0.263	17	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:4:3:	4:	C[5a]-3:N[5]-3:C[6a]-3:H-1:	B[5]-4:C-4:C[5]-3:	C-4:	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H)	H(CC[5a]C[6a]N[5])	C(C[5a]C[5a]N[5a])(N[5]B[5]C[5])(C[6a]C[6a]2)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H){2|C<3>}	H(CC[5a]C[6a]N[5])	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.6948	0.789	5	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:C[5]-4:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	H(CC[6a]N[5]2)	105.9855	0.829	2	105.9855	0.688	2	106.7583	1.026	4	106.6948	0.789	5	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C-4:C[5]-4:C[5]-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O)	H(CC[6a]N[5]2)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	H(CC[6a]N[5]2)	107.5310	0.006	2	107.5310	0.000	2	106.7583	1.026	4	106.6948	0.789	5	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:2:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:Se[5]-2:C-4:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	107.3387	0.374	3	107.3387	0.140	3	107.3387	0.140	3	107.3387	0.140	3	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	H(CC[6]N[5]C)	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH){2|H<1>}	H(CC[6]N[5]C)	105.9980	0.000	1	105.9980	0.000	1	106.9985	2.002	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	H(CC[6]N[5]C)	107.9990	0.000	1	107.9990	0.000	1	106.9985	2.002	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	105.1365	0.069	2	105.1365	0.005	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	106.1205	0.245	2	106.1205	0.060	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	H(CC[6a]N[5]C)	106.9180	0.000	1	106.9180	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	107.8910	0.000	1	107.8910	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	N[5](C[5]C[5]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	107.2340	0.000	1	107.2340	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	105.2898	0.283	12	105.2898	0.080	12	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	105.3407	0.184	4	105.3407	0.034	4	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.8830	0.580	2	106.8830	0.336	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	106.3630	0.000	1	106.3630	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	105.4395	0.033	2	105.4395	0.001	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	106.7160	0.000	1	106.7160	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.1370	0.000	1	107.1370	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	N[5](C[5]C[5]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	103.3060	0.000	1	103.3060	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]N[5]C)	106.5930	0.048	2	106.5930	0.002	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	H(CC[6a]N[5]C)	102.2920	0.000	1	102.2920	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.5001	0.301	9	107.5001	0.091	9	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	H(CC[6a]N[5]C)	105.6310	0.209	2	105.6310	0.044	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	H(CC[6a]N[5]C)	108.2030	0.000	1	108.2030	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	108.3140	0.000	1	108.3140	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	106.8955	0.325	2	106.8955	0.105	2	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.1668	0.369	4	107.1668	0.136	4	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[5]C)	107.5850	0.006	2	107.3850	0.177	6	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.2850	0.504	4	107.3850	0.177	6	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.5296	0.519	5	106.5296	0.269	5	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.4110	0.000	1	106.4110	0.000	1	106.3715	1.369	65	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	H(CC[6a]N[5]C)	106.9870	0.018	2	106.9870	0.000	2	106.9870	0.000	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	106.9150	0.000	1	106.9150	0.000	1	106.2653	0.473	3	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	105.5450	0.000	1	105.5450	0.000	1	106.2653	0.473	3	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]N[5]C)	106.3360	0.000	1	106.3360	0.000	1	106.2653	0.473	3	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH){1|C<3>}	H(CC[6a]N[5]C)	108.5760	0.187	2	108.5760	0.035	2	108.5760	0.035	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(CHHO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]2)2(CHHO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.6100	0.020	2	108.6100	0.000	2	108.6100	0.000	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	105.2605	0.022	2	105.2605	0.000	2	105.9978	2.976	6	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	104.5465	0.009	2	104.5465	0.000	2	105.9978	2.976	6	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	108.1865	0.035	2	108.1865	0.001	2	105.9978	2.976	6	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CCCS)(H)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCCS)(H)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH){2|C<4>}	H(CN[5]2C)	105.3805	0.004	4	105.3805	0.000	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	105.6377	0.340	4	105.6377	0.116	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.4965	0.023	2	107.4965	0.001	2	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.0100	0.000	1	106.0100	0.000	1	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.2610	0.065	6	106.2610	0.004	6	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.8710	0.037	4	107.8710	0.001	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	105.8645	0.052	2	105.8645	0.003	2	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.4750	0.013	4	106.4750	0.000	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.9201	0.652	14	107.9201	0.425	14	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	105.1650	1.042	2	105.1650	1.086	2	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.4820	0.054	2	107.4820	0.003	2	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.9938	0.192	6	106.9938	0.037	6	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.2085	0.543	6	107.2085	0.295	6	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH){1|Br<1>,1|C<4>}	H(CN[5]2C)	107.3095	0.038	4	107.3095	0.001	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.3495	0.179	6	107.3495	0.032	6	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	107.3313	0.277	6	107.3313	0.076	6	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	108.3071	0.176	7	108.3071	0.031	7	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	107.5855	0.033	2	107.5855	0.001	2	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	107.2860	0.405	4	107.2860	0.164	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHO)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.8965	0.038	4	106.8965	0.001	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHO)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	107.3556	0.829	10	107.3556	0.687	10	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHS)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.8510	0.005	4	106.8510	0.000	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHS)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	106.6170	0.766	4	106.6170	0.587	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CN[5]2H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	H(CN[5]2C)	108.0127	0.025	4	108.0127	0.001	4	107.1428	0.766	112	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH)	H(CN[5]2Si)	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	H(CN[5]2Si)	106.7470	0.017	2	106.7470	0.000	2	105.6451	1.670	18	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	H(CN[5]2Si)	C(N[5]C[5]N[5])2(SiCCN)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	H(CN[5]2Si)	106.7630	0.162	8	106.7630	0.026	8	105.6451	1.670	18	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:N[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH)	H(CN[5]2Si)	C(N[5]C[5]N[5])2(SiC[6a]3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	H(CN[5]2Si)	104.2518	0.188	8	104.2518	0.035	8	105.6451	1.670	18	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:O-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Br<1>,1|C<4>}	H(CN[5]CO)	109.7750	0.000	1	109.7885	0.000	2	109.7885	0.000	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5]-3:O-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|C<4>,1|I<1>}	H(CN[5]CO)	109.8020	0.000	1	109.7885	0.000	2	109.7885	0.000	2	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH){1|C<3>,1|H<1>}	H(CN[5a]N[5]C)	106.7900	0.000	1	106.7900	0.000	1	106.3547	0.181	4	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	106.0150	0.000	1	106.0150	0.000	1	106.3547	0.181	4	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	106.6490	0.000	1	106.6490	0.000	1	106.3547	0.181	4	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:3:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	H(CN[5a]N[5]C)	105.9650	0.000	1	105.9650	0.000	1	106.3547	0.181	4	106.8054	1.477	220	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	H(CC[5a]N[5]C)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	H(CC[5a]N[5]C)	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-3:C-4:P[5]-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	H(CC[5a]N[5]C)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	H(CC[5a]N[5]C)	108.1500	0.349	2	108.1500	0.122	2	108.1500	0.122	2	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	H(CC[6a]N[5]C)	108.1894	0.391	5	107.9541	0.159	17	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	H(CC[6a]N[5]C)	108.1327	0.634	3	107.9541	0.159	17	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	H(CC[6a]N[5]C)	107.8298	0.218	6	107.9541	0.159	17	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	H(CC[6a]N[5]C)	107.6320	0.241	3	107.9541	0.159	17	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]C)	107.6160	0.107	2	107.6160	0.012	2	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]C)	107.6785	0.808	2	107.6785	0.653	2	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:2:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:N[5]-2:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5])	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[6a]N[5]C)	107.6545	0.104	2	107.6545	0.011	2	107.8747	0.165	23	107.8831	0.161	26	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	106.7140	0.000	1	106.7140	0.000	1	107.2490	0.572	2	107.2490	0.572	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	H(CC[6a]N[5]C)	107.7840	0.000	1	107.7840	0.000	1	107.2490	0.572	2	107.2490	0.572	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	H(CC[5]N[5]2)	C(N[5]C[5]N[5])2(C[5]C[5]2Fe)(H)	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	H(CC[5]N[5]2)	106.2845	0.033	2	106.2845	0.001	2	106.2845	0.001	2	106.2845	0.001	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	B[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	H(CB[5]N[5]C)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	H(CB[5]N[5]C)	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	H(CC[5a]N[5]C)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	H(CC[5a]N[5]C)	105.4440	0.000	1	105.4440	0.000	1	105.4440	0.000	1	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	105.5910	0.338	2	105.5910	0.114	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	107.2035	0.257	2	107.2035	0.066	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	107.1170	0.000	1	107.1170	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|H<1>}	H(CC[6a]N[5]C)	107.4000	0.000	1	107.4000	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	105.8435	3.226	6	105.8435	10.405	6	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH){2|H<1>,2|O<2>}	H(CC[6a]N[5]C)	103.4450	0.000	1	103.4450	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.7870	0.000	1	107.7870	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	H(CC[6a]N[5]C)	106.6630	0.000	1	106.6630	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[5]C)	107.3650	0.000	1	107.2735	0.017	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	H(CC[6a]N[5]C)	107.1820	0.000	1	107.2735	0.017	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[5]C)	107.0180	0.000	1	107.0180	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	103.1160	0.000	1	103.1160	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH){2|H<1>}	H(CC[6a]N[5]C)	107.7045	0.258	2	107.7045	0.067	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH){2|H<1>}	H(CC[6a]N[5]C)	107.0020	0.000	1	107.0020	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){1|C<2>,2|H<1>,3|C<3>}	H(CC[6a]N[5]C)	101.4600	0.000	1	101.4600	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	H(CC[6a]N[5]C)	107.2170	0.000	1	106.8600	0.255	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	H(CC[6a]N[5]C)	106.5030	0.000	1	106.8600	0.255	2	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	H(CC[6a]N[5]C)	105.6160	0.000	1	105.6160	0.000	1	106.1904	4.400	26	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	H(CC[6a]N[5]C)	105.9443	0.814	3	105.9443	0.663	3	106.0135	0.461	4	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,6|H<1>}	H(CC[6a]N[5]C)	106.2210	0.000	1	106.2210	0.000	1	106.0135	0.461	4	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]N[5]C)	105.0670	0.000	1	104.9790	0.015	2	105.5270	0.909	3	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){3|C<3>,3|H<1>}	H(CC[6a]N[5]C)	104.8910	0.000	1	104.9790	0.015	2	105.5270	0.909	3	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH){1|H<1>,1|O<2>,3|C<4>}	H(CC[6a]N[5]C)	106.6230	0.000	1	106.6230	0.000	1	105.5270	0.909	3	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.8040	0.000	1	106.8040	0.000	1	106.6560	0.045	3	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	106.5820	0.238	2	106.5820	0.056	2	106.6560	0.045	3	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	H(CN[5]CN)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	H(CN[5]CN)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	H(CN[5]2C)	C(N[5]C[5]2)2(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	H(CN[5]2C)	108.0405	0.019	2	108.0405	0.000	2	108.0405	0.000	2	106.2952	3.172	41	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	H(CC[6a]N[5]C)	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:3:5:1:	3:3:4:	4:	N[5]-3:N[5]-3:Si-5:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(SiMgCCN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH)	H(CN[5]2Si)	C(N[5]C[5]N[5])2(SiMgCCN)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	H(CN[5]2Si)	106.3448	0.297	4	106.3448	0.088	4	106.3448	0.088	4	106.3448	0.088	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	2:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5])(N[5]N[5])(CCHH){1|C<4>}	H(CN[5]CH)	109.1840	0.010	2	109.1840	0.000	2	109.1840	0.000	2	109.1625	0.092	8	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	2:2:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	H(CN[5]CH)	109.2645	0.100	2	109.1553	0.129	6	109.1553	0.129	6	109.1625	0.092	8	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	2:2:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]N[5]2)(CH3)(H)2	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	H(CN[5]CH)	109.1008	0.447	4	109.1553	0.129	6	109.1553	0.129	6	109.1625	0.092	8	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:B-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(BF3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CBHH)	H(CN[5]BH)	C(N[5]C[5]N[5])(BF3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CBHH){1|Ir<6>,1|C<3>}	H(CN[5]BH)	108.6170	0.044	4	108.6170	0.002	4	108.6170	0.002	4	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	H(CN[5]CH)	108.7482	0.108	4	108.7482	0.012	4	108.7482	0.012	4	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4545	0.008	2	109.4545	0.000	2	109.4545	0.000	2	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.2544	0.166	10	108.2544	0.028	10	108.5456	0.170	16	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1415	0.013	2	109.1415	0.000	2	108.5456	0.170	16	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9758	0.053	4	108.9758	0.003	4	108.5456	0.170	16	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5,6a]N[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3628	0.116	4	109.3628	0.014	4	109.3628	0.014	4	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	107.3713	1.490	4	107.3713	2.220	4	109.0029	2.064	12	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.8187	0.103	8	109.8187	0.011	8	109.0029	2.064	12	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.0485	1.942	2	108.0485	3.773	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	108.9030	0.030	2	109.1526	0.062	5	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	H(CN[5]CH)	109.1670	0.000	1	109.1526	0.062	5	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Rh<6>,1|C<4>}	H(CN[5]CH)	109.3950	0.069	2	109.1526	0.062	5	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2097	0.041	3	109.2097	0.002	3	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.9595	4.112	2	109.9595	16.907	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH){1|C<4>}	H(CN[5]CH)	109.3850	0.031	2	109.3850	0.001	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2680	0.018	2	109.2680	0.000	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0615	0.047	2	109.0615	0.002	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]C[5]Rh)(C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]C[5]Rh)(C[5]N[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.9600	0.033	2	109.9600	0.001	2	109.2379	1.368	20	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:Ge[5]-2:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5256	0.152	9	108.5256	0.023	9	108.5256	0.023	9	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CBrHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CBrHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	106.2465	1.331	2	106.2465	1.773	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	H(CN[5]CH)	109.1312	0.240	16	109.1312	0.058	16	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCCO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	H(CN[5]CH)	108.5433	0.101	4	108.5433	0.010	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.9530	0.013	2	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.5754	0.812	18	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	H(CN[5]CH)	108.4444	1.956	8	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	H(CN[5]CH)	109.3510	0.557	4	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	H(CN[5]CH)	109.2780	0.050	4	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	H(CN[5]CH)	109.2795	0.074	2	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pt<4>,1|C<3>}	H(CN[5]CH)	108.8990	0.164	2	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	H(CN[5]CH)	109.7845	0.006	2	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	H(CN[5]CH)	109.4343	0.087	4	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	H(CN[5]CH)	109.3565	0.225	4	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	H(CN[5]CH)	107.6628	0.210	4	108.8162	1.015	54	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.8630	0.654	6	108.8630	0.427	6	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.2670	0.142	8	109.2670	0.020	8	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.8545	0.052	4	108.8607	0.002	6	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	H(CN[5]CH)	108.8730	0.059	2	108.8607	0.002	6	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.0947	0.449	6	109.1808	0.170	8	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	H(CN[5]CH)	109.4390	0.066	2	109.1808	0.170	8	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]CH)	110.2880	0.035	2	110.2880	0.001	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	H(CN[5]CH)	109.0860	0.006	2	109.0860	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	H(CN[5]CH)	109.1265	0.183	4	109.1265	0.033	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2480	0.016	2	109.2154	0.058	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cd<6>,1|H<1>}	H(CN[5]CH)	109.0080	0.226	4	109.2154	0.058	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	H(CN[5]CH)	109.2493	0.074	4	109.2154	0.058	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Mn<6>,1|H<1>}	H(CN[5]CH)	109.3397	0.273	3	109.2154	0.058	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ni<6>,1|H<1>}	H(CN[5]CH)	109.2792	0.347	4	109.2154	0.058	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	H(CN[5]CH)	109.0398	0.609	55	108.9352	0.664	57	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Zn<6>}	H(CN[5]CH)	106.0590	0.182	2	108.9352	0.664	57	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]P)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]P)(N[5]C[5])(CCHH){1|Cu<4>,1|H<1>}	H(CN[5]CH)	109.1280	0.065	2	109.1280	0.004	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1772	0.189	6	109.1772	0.036	6	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9920	0.023	2	109.2605	0.097	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	H(CN[5]CH)	109.5290	0.030	2	109.2605	0.097	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCHH){1|H<1>}	H(CN[5]CH)	108.6640	0.006	2	108.6640	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CCHS)(H)2	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHS)(H)2	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	109.3535	0.037	2	109.3535	0.001	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[5]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.5230	0.207	4	108.5230	0.043	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2480	0.065	4	109.2480	0.004	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ru<9>,1|H<1>}	H(CN[5]CH)	109.0615	0.210	4	108.8837	0.564	10	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	H(CN[5]CH)	108.7652	0.973	6	108.8837	0.564	10	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0990	0.014	2	109.0990	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	H(CN[5]CH)	109.2040	0.024	4	109.2040	0.001	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.7435	0.045	2	109.1588	1.616	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6505	2.787	4	109.1588	1.616	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	H(CN[5]CH)	109.0119	0.359	9	109.1588	1.616	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	H(CN[5]CH)	109.2520	0.025	2	109.1588	1.616	17	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.4447	0.296	17	109.3436	0.066	34	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){2|C<4>}	H(CN[5]CH)	109.2424	0.163	17	109.3436	0.066	34	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.2620	0.000	1	109.2620	0.000	1	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.3441	0.413	13	109.1996	0.300	15	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	H(CN[5]CH)	108.2605	0.354	2	109.1996	0.300	15	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.2660	0.071	2	109.2660	0.005	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.5380	0.047	2	109.5380	0.002	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	H(CN[5]CH)	103.2485	2.140	2	103.2485	4.581	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	H(CN[5]CH)	106.8920	0.759	2	106.8920	0.577	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.5590	0.010	2	109.2775	0.106	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9960	0.007	2	109.2775	0.106	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	109.4125	0.009	2	109.4125	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Cu<5>,1|C<3>}	H(CN[5]CH)	109.5690	0.066	2	109.5690	0.004	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH){1|Cu<5>}	H(CN[5]CH)	109.3603	0.103	4	109.3603	0.011	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.7950	0.774	8	108.9001	0.415	12	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2720	0.023	2	108.9001	0.415	12	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	H(CN[5]CH)	108.9485	0.042	2	108.9001	0.415	12	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	H(CN[5]CH)	109.1120	0.000	1	109.1060	0.000	3	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	H(CN[5]CH)	109.1030	0.020	2	109.1060	0.000	3	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Co<6>}	H(CN[5]CH)	109.3007	0.093	7	109.3007	0.009	7	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.4038	0.570	4	109.3323	0.157	9	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	H(CN[5]CH)	109.4483	0.090	3	109.3323	0.157	9	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	H(CN[5]CH)	109.0155	0.008	2	109.3323	0.157	9	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.1435	0.013	2	108.1435	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Zn<4>,1|H<1>}	H(CN[5]CH)	109.1093	0.267	4	109.1093	0.071	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	H(CN[5]CH)	109.0247	0.123	4	109.0247	0.015	4	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(COPP)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COPP)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	H(CN[5]CH)	109.2120	0.006	2	109.2120	0.000	2	109.0079	0.732	356	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH){2|C<3>}	H(CN[5]CH)	109.0973	0.070	4	109.0973	0.005	4	109.0973	0.005	4	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C-4:	C(N[5]N[5]2)(CCHH)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH)	H(CN[5]CH)	C(N[5]N[5]2)(CCHH)(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH){2|C<3>}	H(CN[5]CH)	109.3975	0.270	4	109.3975	0.073	4	109.3975	0.073	4	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.3092	0.121	8	109.3092	0.015	8	109.3092	0.015	8	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](C[5]C[5]Ru)(N[5]N[5])(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[5]H)	110.6625	0.009	2	110.6625	0.000	2	110.6625	0.000	2	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(PPdCC)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP)	H(CN[5]HP)	C(N[5]C[5]N[5])(PPdCC)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHHP){2|C<4>}	H(CN[5]HP)	110.8760	0.021	2	110.8760	0.000	2	110.8760	0.000	2	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:2:4:	4:	N[5]-3:Si-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(SiSiCN)(H)2	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	H(CN[5]SiH)	C(N[5]C[5]2)(SiSiCN)(H)2	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	H(CN[5]SiH)	107.0330	0.007	2	107.0330	0.000	2	107.0330	0.000	2	109.0078	0.763	449	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:Cl-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(Cl)(H)	N[5](C[5]C[5,6a]O)2(CClCH)	H(CN[5]ClC)	C(N[5]C[5]2)(CCHH)(Cl)(H)	N[5](C[5]C[5,6a]O)2(CClCH){2|C<3>}	H(CN[5]ClC)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH){1|C<4>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.0496	0.143	8	109.0496	0.020	8	109.1423	0.032	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	H(CN[5]CH)	109.3278	0.047	4	109.3278	0.002	4	109.1423	0.032	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	H(CN[5]CH)	108.9195	0.006	2	108.9195	0.000	2	108.9459	0.086	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	H(CN[5]CH)	108.7870	0.098	3	108.8699	0.009	7	108.9459	0.086	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	H(CN[5]CH)	108.9320	0.022	4	108.8699	0.009	7	108.9459	0.086	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	108.6310	0.010	2	108.6310	0.000	2	108.9459	0.086	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CH3)(H)2	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	H(CN[5]CH)	109.5535	0.013	2	109.5535	0.000	2	108.9459	0.086	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>}	H(CN[5]CH)	109.2039	0.234	8	109.2688	0.046	12	109.2688	0.046	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|P<3>,2|C<3>}	H(CN[5]CH)	109.3988	0.077	4	109.2688	0.046	12	109.2688	0.046	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	108.4405	0.029	2	108.4405	0.001	2	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){3|C<2>}	H(CN[5]CH)	109.4145	0.047	2	109.4145	0.002	2	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	H(CN[5]CH)	109.1097	0.118	4	109.1097	0.014	4	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	H(CN[5]CH)	108.9708	0.070	6	109.0647	0.032	18	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	H(CN[5]CH)	109.2410	0.219	4	109.0647	0.032	18	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	H(CN[5]CH)	109.0470	0.168	8	109.0647	0.032	18	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	H(CN[5]CH)	109.2443	0.253	7	109.2411	0.051	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	H(CN[5]CH)	109.2394	0.220	13	109.2411	0.051	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	H(CN[5]CH)	109.2009	0.309	8	109.0705	0.146	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	H(CN[5]CH)	109.0775	0.012	2	109.0705	0.146	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	H(CN[5]CH)	108.8889	0.483	8	109.0705	0.146	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|Cl<1>,1|C<3>,1|P<3>}	H(CN[5]CH)	109.2680	0.010	2	109.0705	0.146	20	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CN[5]CH)	109.2175	0.008	2	109.1800	0.051	6	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	109.1612	0.290	4	109.1800	0.051	6	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	H(CN[5]CH)	109.1925	0.320	4	109.0876	0.057	8	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	H(CN[5]CH)	108.9827	0.023	4	109.0876	0.057	8	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	H(CN[5]CH)	109.3967	0.304	4	109.3967	0.093	4	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Cu<4>,2|C<3>}	H(CN[5]CH)	108.7620	0.267	3	108.7620	0.071	3	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH){1|Br<1>,1|B<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	108.2839	0.539	8	108.2839	0.291	8	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CSeHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CSeHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	H(CN[5]CH)	109.5525	0.037	2	109.5525	0.001	2	109.0575	0.159	97	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6]N[5])(CHHP)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]N[5])(CHHP)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH){2|H<1>,3|C<4>}	H(CN[5]CH)	109.3440	0.289	7	109.3440	0.084	7	109.3440	0.084	7	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	109.2905	0.006	2	109.0374	0.031	7	109.0374	0.031	7	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	H(CN[5]CH)	108.9362	0.035	5	109.0374	0.031	7	109.0374	0.031	7	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]2)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]2)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	108.9795	0.019	2	108.9795	0.000	2	108.9795	0.000	2	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	108.6800	0.027	2	108.6800	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0173	0.017	3	109.0173	0.000	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<3>,1|H<1>,2|C<3>}	H(CN[5]CH)	107.8175	0.163	8	107.8175	0.027	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CN[5]CH)	108.5595	0.021	2	108.6093	0.004	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.6590	0.021	2	108.6093	0.004	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.4774	0.213	9	108.4571	0.036	20	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.4015	0.008	2	108.4571	0.036	20	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){2|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.4492	0.199	9	108.4571	0.036	20	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.2905	0.019	2	108.2905	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	H(CN[5]CH)	108.4780	0.042	2	108.4780	0.002	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	108.4805	0.124	2	108.4805	0.015	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1232	0.028	4	109.1232	0.001	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9081	0.186	7	108.9081	0.035	7	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	108.9270	0.105	6	108.8938	0.077	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	109.0115	0.084	2	108.8938	0.077	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.8395	0.385	8	108.8938	0.077	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	108.9849	0.026	8	109.0018	0.002	10	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	109.0695	0.069	2	109.0018	0.002	10	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	109.1883	0.471	3	109.1084	0.110	34	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	109.1007	0.325	31	109.1084	0.110	34	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	108.8520	0.025	2	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	H(CN[5]CH)	108.4575	0.039	2	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CH)	109.0212	0.174	16	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	108.4116	1.974	34	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	108.5704	0.912	16	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	H(CN[5]CH)	109.0035	0.087	4	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	H(CN[5]CH)	108.7915	0.019	2	108.6273	1.953	76	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.4762	0.444	4	109.4203	0.126	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	H(CN[5]CH)	109.3085	0.043	2	109.4203	0.126	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<3>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.0230	0.057	4	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.1547	0.199	4	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<6>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.2521	0.241	7	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<8>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.1315	0.110	4	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	H(CN[5]CH)	108.7520	0.007	2	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Os<9>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.4100	0.033	2	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	108.8655	0.102	6	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ru<9>,1|H<1>,4|C<3>}	H(CN[5]CH)	108.9680	0.010	2	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Te<3>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.2055	0.228	4	109.0936	0.052	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2035	0.206	6	109.0416	0.053	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.7320	0.051	2	109.0416	0.053	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9373	0.086	4	109.0416	0.053	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	109.1070	0.000	1	109.0416	0.053	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.7550	0.000	1	108.8440	0.146	5	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	108.8662	0.437	4	108.8440	0.146	5	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2410	0.250	134	109.2319	0.061	152	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|O<1>,2|N<3>}	H(CN[5]CH)	108.8985	0.015	2	109.2319	0.061	152	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.2236	0.268	8	109.2319	0.061	152	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3460	0.110	2	109.2319	0.061	152	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	109.1137	0.049	6	109.2319	0.061	152	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9932	0.169	11	109.0188	0.028	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.1600	0.035	2	109.0188	0.028	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CH)	109.0610	0.008	2	109.0610	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.7942	0.531	23	108.7942	0.282	23	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1522	0.564	35	109.1608	0.287	39	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.2357	0.138	4	109.1608	0.287	39	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.8975	0.416	47	108.8975	0.173	47	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.2985	0.057	2	109.2985	0.003	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.1517	0.205	3	109.1517	0.042	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9486	0.112	10	108.9808	0.037	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.0345	0.290	6	108.9808	0.037	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CH)	109.1820	0.000	1	109.1820	0.000	1	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1345	0.261	35	109.1345	0.068	35	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2535	0.035	2	109.2535	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.8308	0.621	27	108.8308	0.386	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.0097	0.080	4	109.0097	0.006	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.8415	0.005	2	108.8415	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.1746	0.189	8	109.1746	0.036	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.1065	0.029	2	109.1065	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.6421	1.632	14	108.6421	2.665	14	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	H(CN[5]CH)	108.6030	0.066	2	108.6030	0.004	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	H(CN[5]CH)	109.0555	0.040	4	109.0555	0.002	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	H(CN[5]CH)	107.7845	0.029	2	109.0618	0.371	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	H(CN[5]CH)	109.4535	0.294	4	109.0618	0.371	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2030	0.169	7	109.0618	0.371	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	109.1415	0.262	4	109.1415	0.069	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.9795	0.325	10	108.9795	0.106	10	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1450	0.028	2	109.1450	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2188	0.317	6	109.2188	0.100	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9590	0.049	2	108.9590	0.002	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1710	0.075	2	109.1710	0.006	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.4290	0.028	2	109.4290	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.2989	0.184	12	109.2088	0.031	26	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	109.1340	0.136	4	109.2088	0.031	26	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]CH)	109.1735	0.121	8	109.2088	0.031	26	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	108.9585	0.005	2	109.2088	0.031	26	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	109.0885	0.054	2	108.6550	1.569	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	H(CN[5]CH)	108.4382	1.557	4	108.6550	1.569	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	109.3749	0.352	31	109.3749	0.124	31	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CN[5]CH)	109.0495	0.016	2	109.0495	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.2335	0.213	6	108.6017	2.172	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	109.2229	0.053	8	108.6017	2.172	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.9012	0.188	6	108.6017	2.172	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	108.0023	1.169	3	108.6017	2.172	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	106.4120	3.001	4	108.6017	2.172	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CN[5]CH)	108.8305	0.019	2	108.8305	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.2900	0.074	8	109.2949	0.012	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.2800	0.000	1	109.2949	0.012	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	109.3085	0.190	4	109.2949	0.012	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.0476	0.153	7	109.0043	0.065	11	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Zn<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	108.9285	0.397	4	109.0043	0.065	11	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|As<1>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2230	0.293	4	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3780	0.237	6	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<5>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1937	0.100	15	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2461	0.270	7	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<1>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4500	0.000	1	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<5>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1717	0.084	3	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|H<1>,1|P<3>,2|C<3>}	H(CN[5]CH)	109.4092	0.068	6	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3735	0.303	4	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3730	0.275	5	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	104.6180	4.120	2	109.1095	1.174	53	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4920	0.189	4	109.4920	0.036	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2272	0.201	37	109.2531	0.043	41	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.4925	0.068	4	109.2531	0.043	41	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0563	0.222	6	109.0563	0.049	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.2435	0.121	4	109.2435	0.015	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3170	0.366	3	109.3170	0.134	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2265	0.243	11	109.2226	0.049	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.2010	0.049	2	109.2226	0.049	13	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4313	0.155	7	109.4313	0.024	7	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9848	0.285	4	108.9848	0.081	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.9785	0.011	2	108.9785	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2403	0.343	34	109.2403	0.118	34	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.5593	0.277	3	109.5593	0.077	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.1680	0.013	2	109.1680	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.2616	0.277	12	109.2616	0.077	12	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	107.0815	2.256	4	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	H(CN[5]CH)	109.0515	0.221	2	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	H(CN[5]CH)	109.5285	1.717	8	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	H(CN[5]CH)	109.0247	0.088	3	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	H(CN[5]CH)	109.3710	0.054	2	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	H(CN[5]CH)	109.2855	0.005	2	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	H(CN[5]CH)	108.4685	0.295	2	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	H(CN[5]CH)	107.0712	1.599	4	108.6024	2.781	27	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|Pd<4>,1|H<1>,4|C<3>}	H(CN[5]CH)	109.1227	0.147	4	109.1227	0.022	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.5509	0.180	8	108.5509	0.032	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4890	0.088	4	109.4480	0.009	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.3660	0.044	2	109.4480	0.009	6	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2467	0.205	3	109.2467	0.042	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.8305	0.056	2	108.8305	0.003	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.0930	0.042	2	109.0930	0.002	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	109.3458	0.212	14	109.3458	0.045	14	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.2270	0.004	2	109.2270	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<8>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2755	0.172	4	109.2755	0.029	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0172	0.397	13	109.1471	0.086	37	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cl<1>,1|C<4>,2|C<3>}	H(CN[5]CH)	109.1785	0.035	2	109.1471	0.086	37	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1856	0.262	11	109.1471	0.086	37	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1955	0.029	4	109.1471	0.086	37	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2914	0.145	7	109.1471	0.086	37	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.5968	0.388	4	108.5968	0.150	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.6058	0.280	4	108.6058	0.078	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1990	0.008	2	109.2815	0.009	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	109.3640	0.024	2	109.2815	0.009	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.0171	0.202	8	109.0171	0.041	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	109.3065	0.754	4	109.3065	0.569	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.8895	0.034	4	109.8895	0.001	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4818	0.058	4	109.1538	0.108	24	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Fe<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.4657	0.096	4	109.1538	0.108	24	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.1345	0.052	2	109.1538	0.108	24	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	108.9737	0.299	14	109.1538	0.108	24	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.1445	0.008	2	109.1445	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	107.8780	2.537	2	107.8780	6.437	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	109.0610	0.160	4	109.0610	0.026	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.7682	0.047	4	109.7682	0.002	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3206	0.269	16	109.3206	0.072	16	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3810	0.128	4	109.3810	0.017	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.4660	0.010	2	109.4660	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHOO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3483	0.041	4	109.3483	0.002	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3284	1.436	5	109.3284	2.062	5	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CIrCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.9895	0.083	4	109.9895	0.007	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CH)	109.2715	0.267	4	109.2715	0.071	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2673	0.540	8	109.2673	0.292	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.6633	0.492	3	108.6633	0.242	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	107.7140	0.010	2	107.7140	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	107.8680	1.879	4	107.8680	3.530	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2328	0.102	11	109.2328	0.010	11	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.2496	0.098	10	109.2496	0.010	10	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.4975	0.043	2	109.2452	0.086	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	108.9930	0.047	2	109.2452	0.086	4	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|N<3>}	H(CN[5]CH)	109.1690	0.003	3	109.1690	0.000	3	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.6985	0.021	2	108.6985	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.5940	2.066	6	108.7219	3.107	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1055	0.045	2	108.7219	3.107	8	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CPdCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.8125	0.032	2	109.8125	0.001	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CRuCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.9760	0.016	2	109.9760	0.000	2	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.3572	0.543	9	109.3572	0.295	9	109.0498	0.496	1274	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.7440	0.120	4	108.7440	0.014	4	109.0240	0.388	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	109.1640	0.732	8	109.1640	0.536	8	109.0240	0.388	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CBrHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.4570	0.370	6	109.4570	0.137	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	107.7520	2.316	2	107.7520	5.366	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	108.6847	0.142	6	108.6847	0.020	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5]CH)	108.5577	0.545	4	108.5577	0.298	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.7374	0.843	15	108.7374	0.711	15	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2793	0.140	4	109.2793	0.020	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0949	0.240	11	109.0949	0.058	11	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.6580	0.074	2	108.8852	0.076	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	108.9420	0.279	8	108.8852	0.076	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]N[5]C)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]N[5]C)2(CCHH){1|H<1>}	H(CN[5]CH)	108.7790	0.000	1	108.7790	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.4751	0.195	8	108.4751	0.038	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7370	0.025	2	108.7370	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	107.7108	0.568	4	108.3855	0.446	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8353	0.052	6	108.3855	0.446	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8415	0.467	4	108.8415	0.218	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9190	0.466	4	108.9190	0.218	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9443	0.531	6	108.9443	0.282	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCFH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCFH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.2267	0.267	6	109.2267	0.071	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	H(CN[5]CH)	109.0380	0.159	4	109.0380	0.025	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4,5,6]O)2(CCHH){2|C<3>,2|C<4>}	H(CN[5]CH)	108.8595	0.043	2	108.8595	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	107.6060	1.024	2	107.6060	1.048	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	108.4627	1.710	10	108.4627	2.925	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(CN[5]CH)	108.9435	0.042	2	108.9435	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.3445	0.009	2	109.3445	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	H(CN[5]CH)	109.2420	0.052	2	109.2420	0.003	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	H(CN[5]CH)	109.0920	0.000	1	108.9450	0.009	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	108.9205	0.073	6	108.9450	0.009	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5]CH)	109.1738	0.265	13	109.1738	0.070	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	H(CN[5]CH)	108.9745	0.049	2	109.1513	0.044	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.3280	0.064	2	109.1513	0.044	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	H(CN[5]CH)	108.4940	0.045	2	108.4940	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	H(CN[5]CH)	108.8785	0.011	2	108.8785	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.1615	0.016	2	109.1615	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	H(CN[5]CH)	109.0640	0.000	1	109.0640	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.8448	0.871	150	108.8594	0.735	156	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|N<2>}	H(CN[5]CH)	109.2247	0.092	6	108.8594	0.735	156	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	H(CN[5]CH)	109.2970	0.943	4	109.2970	0.889	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	109.4285	0.043	2	109.4285	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	H(CN[5]CH)	108.2810	0.676	4	108.2810	0.457	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	108.7457	0.157	6	108.7457	0.025	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	108.5595	0.013	2	108.5595	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	107.6172	1.832	4	107.6172	3.357	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	108.7207	0.088	3	108.7207	0.008	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0308	0.890	46	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Cu<5>,1|H<1>}	H(CN[5]CH)	109.2900	0.014	2	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	H(CN[5]CH)	109.1122	0.373	18	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ni<6>,1|H<1>}	H(CN[5]CH)	109.2670	0.239	4	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Rh<6>,1|C<4>}	H(CN[5]CH)	109.1028	0.045	4	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	H(CN[5]CH)	109.0495	0.303	21	109.0688	0.429	95	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	109.3990	0.033	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8923	0.978	40	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0243	1.027	460	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	H(CN[5]CH)	108.4407	2.376	6	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	H(CN[5]CH)	108.8488	0.049	5	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	H(CN[5]CH)	109.2110	0.134	3	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	H(CN[5]CH)	109.0034	0.252	18	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<3>,1|H<1>}	H(CN[5]CH)	109.2670	0.000	1	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	H(CN[5]CH)	109.1515	0.196	10	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	H(CN[5]CH)	109.4810	0.012	4	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	H(CN[5]CH)	108.8441	0.338	11	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Hg<4>,1|H<1>}	H(CN[5]CH)	108.9900	0.016	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<8>,1|C<4>}	H(CN[5]CH)	109.2445	0.011	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>}	H(CN[5]CH)	109.2300	5.091	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	H(CN[5]CH)	109.2325	0.019	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	H(CN[5]CH)	109.0699	0.218	13	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	H(CN[5]CH)	109.3159	0.344	14	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	H(CN[5]CH)	109.1986	0.267	10	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<5>,1|H<1>}	H(CN[5]CH)	109.2180	0.027	2	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.1015	0.628	154	109.0408	0.854	761	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	108.6705	0.006	2	108.6705	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1435	0.497	6	109.1435	0.247	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1535	0.464	8	109.0641	0.184	24	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0194	0.419	16	109.0641	0.184	24	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	H(CN[5]CH)	109.0855	0.062	2	109.0855	0.004	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.1535	0.028	2	109.1535	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.3150	0.055	5	109.3150	0.003	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	H(CN[5]CH)	109.3025	0.098	4	109.1325	0.037	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>,2|N<3>}	H(CN[5]CH)	109.0020	0.000	1	109.1325	0.037	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	H(CN[5]CH)	109.0639	0.187	8	109.1325	0.037	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	H(CN[5]CH)	106.4375	3.330	2	108.3391	2.824	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.2993	1.236	6	108.3391	2.824	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	H(CN[5]CH)	109.8505	0.046	2	108.3391	2.824	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	H(CN[5]CH)	108.8485	0.052	2	108.3391	2.824	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.9947	0.034	4	108.3496	2.316	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	H(CN[5]CH)	109.0947	0.053	3	108.3496	2.316	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){2|C<3>}	H(CN[5]CH)	105.9415	1.896	2	108.3496	2.316	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	109.0140	0.035	4	109.0140	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	H(CN[5]CH)	109.1115	0.013	2	109.1115	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3515	0.005	2	109.3515	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	H(CN[5]CH)	107.9500	1.333	6	108.5244	0.787	17	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|Br<1>}	H(CN[5]CH)	109.0465	0.018	2	108.5244	0.787	17	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.9767	0.104	3	108.5244	0.787	17	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	H(CN[5]CH)	108.5260	0.047	4	108.5244	0.787	17	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	109.0435	0.023	2	108.5244	0.787	17	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	H(CN[5]CH)	109.3815	0.013	2	109.3815	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.5210	0.052	4	109.2092	0.135	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	H(CN[5]CH)	108.8975	0.229	4	109.2092	0.135	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	H(CN[5]CH)	109.1944	0.289	9	109.1944	0.083	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	H(CN[5]CH)	108.8755	0.036	2	108.8755	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.9275	0.050	2	108.9858	0.029	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]CH)	109.1950	0.016	2	108.9858	0.029	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.8350	0.058	2	108.9858	0.029	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	109.0735	0.005	2	109.0735	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH){1|Rh<6>,1|C<4>,2|C<3>}	H(CN[5]CH)	109.0647	0.023	3	109.0647	0.001	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	H(CN[5]CH)	107.7810	1.549	2	107.7810	2.398	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH){1|C<3>,1|N<3>}	H(CN[5]CH)	109.1290	0.013	2	109.1290	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9543	0.051	4	108.9543	0.003	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.4315	0.015	2	108.4315	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9996	0.126	8	109.0691	0.018	21	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1119	0.124	13	109.0691	0.018	21	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1052	0.656	5	109.1801	0.303	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3675	0.026	2	109.1801	0.303	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	H(CN[5]CH)	108.4880	0.038	2	108.4880	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0262	0.369	35	109.0562	0.142	109	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0711	0.387	72	109.0562	0.142	109	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.0440	0.016	2	109.0562	0.142	109	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	107.8730	1.156	6	107.8730	1.337	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1759	0.524	24	109.2663	0.230	36	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4472	0.323	12	109.2663	0.230	36	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0740	0.017	2	109.0740	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH){1|C<2>,1|C<4>}	H(CN[5]CH)	108.4520	0.203	4	108.4520	0.041	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9624	0.627	26	109.1036	0.213	157	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1310	0.422	129	109.1036	0.213	157	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>}	H(CN[5]CH)	109.1680	0.030	2	109.1036	0.213	157	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	109.1740	0.024	2	108.9524	0.089	24	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	108.9323	0.304	22	108.9524	0.089	24	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1791	0.204	7	108.7270	0.240	41	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.6339	0.480	34	108.7270	0.240	41	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1022	0.244	5	109.4542	0.131	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.7056	0.154	7	109.4542	0.131	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0687	0.284	6	108.9299	0.190	48	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9101	0.452	42	108.9299	0.190	48	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	108.4140	0.021	2	108.4140	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2117	0.342	31	109.2851	0.088	61	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3609	0.224	30	109.2851	0.088	61	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1064	0.316	19	109.1064	0.100	19	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1513	0.195	4	109.1513	0.038	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4780	0.011	2	109.4780	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.9590	0.178	6	108.9590	0.032	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH){1|H<1>}	H(CN[5]CH)	108.9470	0.016	2	108.9470	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9808	0.045	4	108.9808	0.002	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<5>}	H(CN[5]CH)	109.4700	0.000	1	109.4700	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.1505	0.012	2	109.1505	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	109.3015	0.006	2	109.3015	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH){2|C<3>}	H(CN[5]CH)	109.5035	0.380	4	109.5035	0.145	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1894	0.196	16	109.1894	0.038	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.6398	0.095	4	108.6398	0.009	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4515	0.029	2	109.4515	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	H(CN[5]CH)	109.2960	0.030	2	109.2815	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	H(CN[5]CH)	109.2670	0.023	2	109.2815	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9853	0.129	7	108.9853	0.017	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1960	0.000	1	109.1960	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	105.9525	0.032	2	105.9525	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.5155	0.029	2	109.5155	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6080	0.000	1	109.6080	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7980	0.008	2	108.7980	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]Ru2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]Ru2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	110.1238	0.115	8	110.1238	0.013	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.4297	0.156	4	109.4297	0.024	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	H(CN[5]CH)	108.9580	0.013	2	108.9580	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2133	0.304	4	109.2133	0.093	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.5397	0.070	4	109.5397	0.005	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3760	0.017	2	109.3760	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.3822	1.213	4	109.3822	1.472	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4893	0.284	7	109.4893	0.081	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.3783	0.196	3	109.3783	0.039	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(CN[5]CH)	108.7480	0.017	2	108.7480	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.2510	0.075	2	109.2510	0.006	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.0185	0.006	2	109.0185	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.6602	1.140	16	108.6602	1.299	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	108.9575	0.047	2	108.9575	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1600	0.034	2	109.3062	0.029	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.4525	0.015	2	109.3062	0.029	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.3580	0.017	2	109.2470	0.017	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>}	H(CN[5]CH)	109.1360	0.007	2	109.2470	0.017	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	H(CN[5]CH)	109.5890	0.000	1	109.3777	0.020	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.3000	0.017	2	109.3777	0.020	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	109.3220	0.000	1	109.3777	0.020	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	H(CN[5]CH)	109.3335	0.006	2	109.3335	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8830	0.038	2	108.8830	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2385	0.013	2	109.2385	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2047	0.369	6	109.2047	0.136	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	H(CN[5]CH)	109.2345	0.019	2	108.7749	1.109	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.6914	1.132	11	108.7749	1.109	13	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CClHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CClHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9530	0.016	2	108.9530	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.1538	0.044	5	109.1538	0.002	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3490	0.004	2	109.3490	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CF3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	H(CN[5]CH)	109.5700	0.034	2	109.5700	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	H(CN[5]CH)	109.1240	0.095	2	109.2248	0.031	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	H(CN[5]CH)	109.2920	0.199	3	109.2248	0.031	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	H(CN[5]CH)	109.4153	0.062	4	109.4153	0.004	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.3035	0.008	2	109.3035	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|O<2>}	H(CN[5]CH)	109.2535	0.033	2	109.2535	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]CH)	109.2840	0.007	2	108.9284	1.159	19	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	108.8865	1.134	17	108.9284	1.159	19	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	H(CN[5]CH)	109.0600	0.018	2	109.0600	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	H(CN[5]CH)	108.1785	0.036	2	108.1785	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.2089	0.063	8	109.2089	0.004	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	106.2455	3.731	4	106.2455	13.923	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.2440	0.097	4	109.2440	0.009	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	109.4546	0.218	7	109.4546	0.047	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	H(CN[5]CH)	109.3725	0.046	2	109.3725	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH){1|H<1>}	H(CN[5]CH)	109.8980	0.000	2	109.8980	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	106.7681	1.847	8	106.7681	3.411	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	H(CN[5]CH)	108.9750	0.014	4	108.9750	0.000	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	H(CN[5]CH)	108.8815	0.236	8	108.8815	0.056	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	H(CN[5]CH)	109.1300	0.127	4	109.1300	0.016	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	109.2500	0.000	1	109.2500	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	H(CN[5]CH)	109.2242	0.175	5	109.2242	0.031	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	108.5865	0.039	2	108.5865	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9034	1.212	25	108.8672	1.455	42	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Co<6>,1|H<1>}	H(CN[5]CH)	109.4571	0.057	7	108.8672	1.455	42	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	H(CN[5]CH)	108.3638	1.468	10	108.8672	1.455	42	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	109.1255	0.224	4	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2072	0.173	12	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1961	1.496	331	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	H(CN[5]CH)	109.0924	0.166	8	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	H(CN[5]CH)	109.4170	0.035	2	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	H(CN[5]CH)	109.1873	0.087	4	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	H(CN[5]CH)	109.0154	0.267	7	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	H(CN[5]CH)	109.1725	0.067	4	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mg<6>,1|H<1>}	H(CN[5]CH)	109.1672	0.090	6	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	H(CN[5]CH)	108.9800	0.489	8	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	H(CN[5]CH)	109.2488	0.076	4	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<6>,1|H<1>}	H(CN[5]CH)	109.1673	0.130	6	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.9835	0.382	11	109.1810	1.834	407	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.6574	2.148	16	108.6574	4.615	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	106.5775	2.177	2	106.5775	4.740	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1925	0.015	2	109.1925	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|Fe<5>,1|C<4>}	H(CN[5]CH)	109.2908	0.184	5	109.2908	0.034	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	109.2523	0.201	16	109.0479	0.490	48	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9456	0.832	32	109.0479	0.490	48	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH){1|H<1>}	H(CN[5]CH)	109.1830	0.010	2	109.1830	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	H(CN[5]CH)	109.3113	0.268	3	109.3113	0.072	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	H(CN[5]CH)	109.1670	0.031	2	109.1670	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH){1|H<1>}	H(CN[5]CH)	109.7420	0.023	2	109.7420	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	H(CN[5]CH)	109.2610	0.000	1	109.2610	0.000	1	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	H(CN[5]CH)	108.5944	1.653	20	108.7337	2.148	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	H(CN[5]CH)	109.1980	0.129	6	108.7337	2.148	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1600	0.017	2	109.1600	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2618	0.174	4	109.2618	0.030	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2505	0.033	2	109.2505	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3277	0.035	4	108.2472	2.850	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	H(CN[5]CH)	106.0860	0.484	2	108.2472	2.850	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	H(CN[5]CH)	109.3670	0.089	4	109.3670	0.008	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	H(CN[5]CH)	109.4577	0.119	7	109.2971	0.112	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|S<2>}	H(CN[5]CH)	108.7350	0.006	2	109.2971	0.112	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	H(CN[5]CH)	109.3208	0.127	15	109.2620	0.024	25	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	H(CN[5]CH)	109.1738	0.157	10	109.2620	0.024	25	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	H(CN[5]CH)	109.2580	0.208	4	109.2580	0.043	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	107.8510	0.257	2	107.8510	0.066	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	108.9989	0.145	7	108.9989	0.021	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	H(CN[5]CH)	109.2190	0.207	51	109.1871	0.051	69	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	H(CN[5]CH)	108.8015	0.095	2	109.1871	0.051	69	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<4>}	H(CN[5]CH)	109.3082	0.191	6	109.1871	0.051	69	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	H(CN[5]CH)	109.0289	0.215	10	109.1871	0.051	69	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1467	0.167	11	109.1467	0.028	11	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	108.9274	0.200	21	108.9274	0.040	21	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1291	0.166	7	109.1291	0.028	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2845	0.060	2	109.2479	0.012	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2332	0.127	5	109.2479	0.012	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	108.9725	0.178	4	108.9725	0.032	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.4960	0.092	6	109.4960	0.008	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8652	0.177	6	108.8652	0.031	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	108.9460	0.031	2	108.9460	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1935	0.138	6	109.3167	0.108	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3536	0.362	20	109.3167	0.108	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	109.1809	0.245	27	109.1809	0.060	27	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	107.1575	0.730	2	107.1575	0.534	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	108.8838	0.422	51	108.8838	0.178	51	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2116	0.165	8	109.2116	0.027	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	109.0798	0.071	4	109.0798	0.005	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	109.4090	0.010	2	109.4090	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHI)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHI)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.7710	0.035	2	108.7710	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.1842	0.091	8	109.1842	0.008	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.1498	0.331	28	109.1498	0.110	28	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2127	0.203	8	109.2127	0.041	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.4597	0.019	4	109.4597	0.000	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8807	0.520	6	109.1067	0.349	44	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1181	0.616	34	109.1067	0.349	44	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.3492	0.434	4	109.1067	0.349	44	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.7637	0.091	6	108.7637	0.008	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	H(CN[5]CH)	109.2579	0.169	12	109.2343	0.028	14	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	109.0925	0.023	2	109.2343	0.028	14	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9920	0.024	2	108.9920	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2367	0.412	40	109.2367	0.170	40	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1745	0.032	2	109.1745	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9070	0.021	2	108.9070	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0510	0.129	12	109.0510	0.017	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9070	0.454	6	108.9070	0.206	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2570	0.099	4	109.2570	0.010	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0174	0.644	29	109.0174	0.414	29	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2299	0.443	7	108.6588	1.439	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	106.6600	0.252	2	108.6588	1.439	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3632	0.466	4	109.4834	0.150	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6035	0.308	4	109.4834	0.150	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9935	0.378	6	108.9935	0.143	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.0070	1.691	2	108.0070	2.861	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2731	0.335	11	109.3629	0.106	15	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6100	0.108	4	109.3629	0.106	15	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.7210	0.035	2	109.7210	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	108.1650	2.039	7	108.1650	4.157	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.0895	0.033	2	109.0895	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	H(CN[5]CH)	109.0452	0.388	4	109.0452	0.151	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.5313	0.059	3	109.5313	0.003	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.6940	0.946	29	108.6940	0.896	29	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	108.8107	0.360	4	108.8107	0.130	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3743	0.168	12	109.3481	0.048	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	H(CN[5]CH)	109.2698	0.358	4	109.3481	0.048	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3170	0.326	7	109.2762	0.223	63	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3966	0.406	38	109.2762	0.223	63	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>}	H(CN[5]CH)	109.1689	0.117	12	109.2762	0.223	63	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	H(CN[5]CH)	109.2562	0.147	4	109.2762	0.223	63	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	107.5295	0.292	2	109.2762	0.223	63	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>}	H(CN[5]CH)	105.9488	1.949	4	107.9182	3.323	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pt<4>,1|H<1>}	H(CN[5]CH)	109.2210	0.003	4	107.9182	3.323	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	H(CN[5]CH)	108.5847	0.599	4	107.9182	3.323	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	H(CN[5]CH)	109.4641	0.106	7	109.4641	0.011	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	109.2010	0.023	2	109.2010	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	H(CN[5]CH)	109.2501	0.155	7	109.2501	0.024	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	H(CN[5]CH)	108.8443	0.141	4	108.8443	0.020	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1185	0.062	2	109.1185	0.004	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1946	0.102	8	109.1946	0.010	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8908	0.285	21	108.8769	0.076	23	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7310	0.011	2	108.8769	0.076	23	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0320	0.380	8	109.0439	0.106	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0678	0.226	4	109.0439	0.106	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8953	0.086	4	108.8517	0.092	56	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8483	0.314	52	108.8517	0.092	56	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7963	0.486	12	108.9519	0.253	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ir<7>,1|C<4>}	H(CN[5]CH)	109.4185	0.100	4	108.9519	0.253	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1317	0.402	4	109.1317	0.162	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2570	0.085	3	109.2570	0.007	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1105	0.006	2	109.1105	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8695	0.037	2	108.8695	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6462	0.268	9	109.6462	0.072	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.6405	0.023	2	109.5320	0.033	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.5165	0.189	14	109.5320	0.033	16	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.7170	0.010	2	109.3737	0.046	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3050	0.157	10	109.3737	0.046	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0565	0.504	4	109.0565	0.254	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3465	0.050	2	109.3465	0.003	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	H(CN[5]CH)	109.3710	0.016	2	107.6463	2.719	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	107.5025	1.636	24	107.6463	2.719	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	109.3798	0.025	4	109.3798	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	H(CN[5]CH)	109.7350	0.004	2	109.7350	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>}	H(CN[5]CH)	109.1800	0.049	2	109.1800	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9577	0.041	3	109.2208	0.132	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6155	0.063	2	109.2208	0.132	5	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.6303	0.154	10	109.4449	0.061	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3291	0.225	16	109.4449	0.061	26	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2200	0.038	2	109.2998	0.032	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3263	0.204	6	109.2998	0.032	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	H(CN[5]CH)	110.3238	0.235	6	110.3238	0.055	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1196	0.479	11	109.1196	0.229	11	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	109.9160	0.081	2	109.9160	0.006	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.2170	0.282	7	110.2170	0.080	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.6009	0.159	11	109.6009	0.025	11	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.4480	0.027	2	109.4480	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	109.4095	0.016	2	109.4095	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.9810	0.022	3	109.5759	0.195	51	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.5506	0.443	48	109.5759	0.195	51	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7816	0.445	8	108.7816	0.198	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	108.7025	0.147	4	108.7025	0.022	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	106.3582	1.616	6	106.3582	2.611	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.1507	0.048	3	109.1507	0.002	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	105.3335	1.367	2	105.3335	1.868	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH){2|H<1>}	H(CN[5]CH)	110.1050	0.016	2	110.1050	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	H(CN[5]CH)	109.4525	0.036	4	109.4525	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.9583	0.683	6	108.9583	0.466	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.7033	0.457	14	108.7033	0.209	14	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.7380	0.647	7	108.7380	0.419	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.5329	0.616	8	108.5329	0.379	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	108.5835	0.443	4	108.7617	0.778	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1180	1.708	2	108.7617	0.778	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3010	0.173	8	109.3010	0.030	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	108.6592	0.827	24	108.6544	0.401	68	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.9490	0.065	6	108.6544	0.401	68	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.6048	0.533	38	108.6544	0.401	68	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]H)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]H)2(CCHH){1|Zn<4>}	H(CN[5]CH)	109.1389	0.182	10	109.1389	0.033	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1990	0.283	6	109.1990	0.080	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0443	0.582	7	109.0443	0.339	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	H(CN[5]CH)	108.7133	0.419	4	108.2061	1.061	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	107.9525	1.171	8	108.2061	1.061	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	109.2351	0.597	12	109.2351	0.357	12	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.5899	0.720	20	108.5899	0.519	20	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.2422	0.278	4	108.7304	0.460	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.2185	0.545	4	108.7304	0.460	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.6534	0.482	5	108.6527	0.626	30	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.6525	0.847	25	108.6527	0.626	30	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	108.6800	0.349	11	108.7196	0.094	15	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<4>}	H(CN[5]CH)	108.8285	0.106	4	108.7196	0.094	15	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1493	0.405	10	109.1493	0.164	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9590	0.697	8	108.9590	0.486	8	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	109.3730	0.018	2	109.3730	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6045	0.049	2	109.6045	0.002	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3850	0.064	2	109.3850	0.004	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.9085	0.242	4	108.9085	0.058	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(COPP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COPP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.8843	0.218	10	108.8843	0.047	10	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CPdCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CPdCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	107.7445	0.796	4	107.7445	0.633	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CPdCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CPdCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0447	0.265	3	109.0447	0.070	3	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CPtCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CPtCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0890	0.081	2	109.0890	0.006	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CReCH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CReCH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	110.0605	0.073	2	110.0605	0.005	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]C[5]Rh)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.0199	0.418	7	110.0199	0.175	7	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhCH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.0365	0.180	6	110.0365	0.033	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuCC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.1414	0.117	9	110.1414	0.014	9	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	110.0160	0.007	2	110.2490	0.046	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.3655	0.150	4	110.2490	0.046	6	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSeCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSeCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.7095	0.151	4	108.7095	0.023	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSeHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSeHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7265	0.028	2	108.7265	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSeHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSeHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1642	0.034	4	109.1642	0.001	4	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSiHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CSiHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.7990	0.038	2	108.7990	0.001	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CTaHN)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CTaHN)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.1115	0.006	2	110.1115	0.000	2	109.0311	0.749	4139	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	H(CN[5]CH)	109.1115	0.089	4	109.1115	0.008	4	109.0769	0.052	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.8723	0.171	4	108.8723	0.029	4	109.0769	0.052	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	H(CN[5]CH)	109.1873	0.348	3	109.1873	0.121	3	109.0769	0.052	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.2515	0.033	2	109.2515	0.001	2	109.0769	0.052	13	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.7697	0.231	6	108.7697	0.053	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0950	0.168	4	109.0950	0.028	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.9788	0.032	4	108.9788	0.001	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.8876	0.219	34	108.8876	0.048	34	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.4930	0.000	1	109.4930	0.000	1	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1677	0.092	4	109.1677	0.009	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0523	0.455	4	109.0523	0.207	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.1721	0.132	8	109.1721	0.017	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0005	0.230	20	109.0005	0.053	20	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3953	0.191	4	109.3953	0.037	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.1290	0.155	3	108.1290	0.024	3	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0803	0.044	4	109.0803	0.002	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.0080	0.035	2	109.0080	0.001	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.6705	0.069	2	108.6705	0.005	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){1|H<1>}	H(CN[5]CH)	109.1370	0.354	4	109.1370	0.125	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){1|H<1>}	H(CN[5]CH)	109.1350	0.082	8	109.1350	0.007	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCdOO)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCdOO)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.5350	0.016	2	108.5350	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	H(CN[5]CH)	108.9570	0.006	2	108.9570	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1095	0.004	2	109.1095	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.7843	0.025	4	108.7843	0.001	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.0677	0.638	30	109.0677	0.406	30	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.5115	0.125	8	108.5115	0.016	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8498	0.255	4	108.8498	0.065	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3972	0.214	39	109.3972	0.046	39	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.6970	0.042	2	109.6970	0.002	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1595	0.280	16	109.1595	0.078	16	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0679	0.190	8	109.0679	0.036	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|C<3>}	H(CN[5]CH)	109.5620	0.011	2	109.5620	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<2>}	H(CN[5]CH)	109.7805	0.022	2	109.0443	0.724	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	H(CN[5]CH)	108.3080	0.045	2	109.0443	0.724	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	108.6430	0.014	2	108.6430	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>}	H(CN[5]CH)	109.2105	0.054	2	109.2105	0.003	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0470	0.023	2	109.0470	0.001	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0145	0.179	6	109.0145	0.032	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.3885	0.042	4	109.3885	0.002	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8953	0.098	6	108.8953	0.010	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	109.0344	0.416	11	109.0136	0.147	13	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.8995	0.008	2	109.0136	0.147	13	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9500	0.203	9	108.9500	0.041	9	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3577	0.202	8	109.3577	0.041	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.1795	0.035	4	109.1795	0.001	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.2982	0.104	10	109.2982	0.011	10	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0580	0.078	4	109.0580	0.006	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	109.0778	0.130	6	109.0778	0.017	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.9525	0.037	2	108.9525	0.001	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.9380	0.058	4	108.9380	0.003	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.1977	0.323	4	109.1977	0.104	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2684	0.212	11	109.2684	0.045	11	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	H(CN[5]CH)	109.2407	0.082	6	109.2407	0.007	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8875	0.030	2	108.8875	0.001	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	H(CN[5]CH)	109.3630	0.049	2	109.3630	0.002	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.5513	0.209	4	108.5513	0.044	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.5595	0.187	4	109.5595	0.035	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2110	0.020	2	109.2110	0.000	2	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	H(CN[5]CH)	108.4020	0.027	4	108.4020	0.001	4	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	113.2380	7.002	4	112.8784	67.122	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>}	H(CN[5]CH)	112.5187	10.356	4	112.8784	67.122	8	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	H(CN[5]CH)	109.1977	0.250	6	109.1977	0.063	6	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	H(CN[5]CH)	108.5630	0.000	1	108.5630	0.000	1	109.1581	1.706	371	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N[5]H)	109.1445	0.042	2	109.1445	0.002	2	109.1139	0.613	14	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N[5]H)	109.3400	0.173	6	109.3400	0.030	6	109.1139	0.613	14	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]N[5]H)	108.6110	2.616	2	108.6110	6.845	2	109.1139	0.613	14	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N[5]H)	108.8425	0.053	2	108.8425	0.003	2	109.1139	0.613	14	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|N<3>}	H(CC[5]N[5]H)	109.1795	0.067	2	109.1795	0.005	2	109.1139	0.613	14	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH){1|H<1>,3|C<3>}	H(CC[5]N[5]H)	109.0978	0.413	6	109.0978	0.171	6	109.1557	0.111	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH){1|H<1>,3|C<3>}	H(CC[5]N[5]H)	109.0900	0.033	2	109.0900	0.001	2	109.1557	0.111	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2W)(H)2	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.3950	0.028	2	109.3950	0.001	2	109.1557	0.111	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]N[5])(C[5]C[5]2Mo)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.3535	0.018	2	109.3535	0.000	2	109.3535	0.000	2	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.7595	0.050	2	108.7595	0.003	2	109.6794	0.619	18	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	108.9910	0.155	4	108.9910	0.024	4	109.6794	0.619	18	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]N[5]H)	110.5924	0.135	5	110.0622	0.463	12	109.6794	0.619	18	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6a]C[5])(C[6]C[6]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	H(CC[6]N[5]H)	109.6834	0.660	7	110.0622	0.463	12	109.6794	0.619	18	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5]N[5])(C[6]C[6]2Ru)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	110.0095	0.022	2	110.0095	0.000	2	110.0095	0.000	2	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(NFeCC)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN)	H(CN[5]HN)	C(N[5]C[5]2)(NFeCC)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	H(CN[5]HN)	110.4907	0.060	3	110.4907	0.004	3	110.4907	0.004	3	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCHV)(H)2	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCHV)(H)2	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.8160	0.489	4	109.8160	0.239	4	109.8160	0.239	4	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NC[6a]CdC)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	110.1913	0.129	3	110.1913	0.017	3	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCdCC)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCdCC)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.7857	0.299	15	109.7857	0.089	15	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	110.1584	0.227	35	110.1584	0.052	35	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	H(CN[5]HN)	109.9180	0.081	5	109.9180	0.007	5	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NCrCC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NCrCC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	110.4125	0.044	4	110.4125	0.002	4	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NFeCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NFeCC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	110.0830	0.068	4	110.0830	0.005	4	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NNiCC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NNiCC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	110.0407	0.202	27	110.0407	0.041	27	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(NPdCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	H(CN[5]HN)	C(N[5]C[5]N[5])(NPdCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	H(CN[5]HN)	109.6125	0.084	2	109.6125	0.007	2	110.0505	0.071	95	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Pd)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	110.4101	0.060	7	110.4101	0.004	7	110.6147	0.039	20	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	110.6977	0.146	11	110.6977	0.021	11	110.6147	0.039	20	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]C[5])(PC[6a]2Ru)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP){2|C<3>,2|H<1>}	H(CN[5]HP)	110.8740	0.024	2	110.8740	0.001	2	110.6147	0.039	20	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(PCOO)(H)2	N[5](C[5]C[5,6a]O)2(CHHP)	H(CN[5]HP)	C(N[5]C[5]2)(PCOO)(H)2	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	H(CN[5]HP)	108.7055	0.006	2	108.7055	0.000	2	108.9740	0.049	6	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(PHOO)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	H(CN[5]HP)	C(N[5]C[5]2)(PHOO)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	H(CN[5]HP)	109.1895	0.012	2	109.1895	0.000	2	108.9740	0.049	6	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5,6a]O)2(CHHP)	H(CN[5]HP)	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	H(CN[5]HP)	109.0270	0.008	2	109.0270	0.000	2	108.9740	0.049	6	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	108.6740	0.284	4	108.6740	0.081	4	109.2182	0.198	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	109.6340	0.006	2	109.6340	0.000	2	109.2182	0.198	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	109.6215	0.052	2	109.6215	0.003	2	109.2182	0.198	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS)	H(CN[5]HS)	C(N[5]C[5]2)(SO3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	H(CN[5]HS)	109.3528	0.039	4	109.3528	0.002	4	109.2182	0.198	12	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	H(CN[5]SiH)	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SiH)	108.7947	0.025	4	108.8955	0.028	8	108.9430	0.032	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	H(CN[5]SiH)	C(N[5]C[5,6a]C[5])(SiC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|Co<4>,1|H<1>,2|C<3>}	H(CN[5]SiH)	108.9963	0.197	4	108.8955	0.028	8	108.9430	0.032	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	H(CN[5]SiH)	C(N[5]C[5,6a]C[5])(SiC[6a]CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]SiH)	109.1330	0.035	2	109.1330	0.001	2	108.9430	0.032	10	109.0688	0.745	6156	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:3:	4:	N[5]-3:C[3x6]-4:H-1:H-1:	C[5,6a]-3:C-4:C[5]-3:	C-4:	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	H(CC[3x6]N[5]H)	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[3x6]N[5]H)	108.7370	0.044	2	108.7370	0.002	2	108.7370	0.002	2	108.7370	0.002	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,5a]C[5])(CHHN)(H)2	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CHHN)(H)2	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	H(CN[5]CH)	108.6220	0.031	3	108.6220	0.001	3	108.6220	0.001	3	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[4,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	108.9445	0.019	2	108.9445	0.000	2	108.9445	0.000	2	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	109.2043	0.125	4	109.2043	0.016	4	109.2043	0.016	4	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(CN[5]CH)	108.8750	0.020	2	108.8750	0.000	2	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	H(CN[5]CH)	108.9800	0.011	2	108.9800	0.000	2	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(CN[5]CH)	108.8125	0.025	2	108.8125	0.001	2	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	109.2680	0.006	2	109.0916	0.017	8	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.0265	0.110	4	109.0916	0.017	8	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CN[5]CH)	109.0455	0.018	2	109.0916	0.017	8	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(CN[5]CH)	108.2345	0.021	2	108.2345	0.000	2	108.9086	0.089	16	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	108.3190	0.020	2	108.3190	0.000	2	108.7020	3.926	14	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CH)	108.4111	2.607	8	108.4111	6.794	8	108.7020	3.926	14	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.4255	0.319	2	109.4255	0.102	2	108.7020	3.926	14	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.5250	0.042	2	109.5250	0.002	2	108.7020	3.926	14	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	H(CN[5]CH)	108.1685	0.012	2	108.1685	0.000	2	108.3279	0.695	8	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[5]CH)	108.7755	0.064	2	108.7755	0.004	2	108.3279	0.695	8	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	107.4700	1.512	2	107.4700	2.286	2	108.3279	0.695	8	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.8975	0.016	2	108.8975	0.000	2	108.3279	0.695	8	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	108.1231	0.181	15	108.1231	0.033	15	108.1231	0.033	15	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	107.9576	0.092	11	107.9576	0.008	11	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(CN[5]CH)	107.7188	0.074	6	107.7188	0.006	6	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]CH)	107.7883	0.162	6	107.7856	0.016	10	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]CH)	107.7815	0.058	4	107.7856	0.016	10	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(CN[5]CH)	107.8420	0.050	4	107.8420	0.003	4	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CN[5]CH)	107.7613	0.085	4	107.7613	0.007	4	107.8319	0.017	35	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	H(CN[5]CH)	108.6480	0.004	2	108.6480	0.000	2	108.8414	0.122	11	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	109.2815	0.059	2	109.2815	0.003	2	108.8414	0.122	11	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	H(CN[5]CH)	108.5263	0.440	3	108.5263	0.193	3	108.8414	0.122	11	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	108.9543	0.071	4	108.9543	0.005	4	108.8414	0.122	11	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PCoCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	109.5803	0.028	3	109.5803	0.001	3	109.8288	0.116	5	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	110.2015	0.012	2	110.2015	0.000	2	109.8288	0.116	5	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	110.0637	0.023	3	110.0637	0.001	3	110.9740	0.915	9	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HP)	111.4292	0.847	6	111.4292	0.718	6	110.9740	0.915	9	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:Si-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(SiCCF)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	H(CN[5]SiH)	C(N[5]C[5]2)(SiCCF)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	H(CN[5]SiH)	108.6355	0.057	2	108.6355	0.003	2	108.6355	0.003	2	108.6287	1.253	124	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:5:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-5:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CH)	107.5755	0.142	4	107.5755	0.020	4	107.5755	0.020	4	109.2074	1.985	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	3:5:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-5:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Pd)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HP)	110.2953	0.101	6	110.2953	0.010	6	110.2953	0.010	6	109.2074	1.985	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(CC3)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CC3)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	H(CN[5]CH)	107.7465	0.023	2	107.7465	0.001	2	108.1730	0.243	4	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(CCHH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	H(CN[5]CH)	C(N[5]B[5]C[5])(CCHH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	H(CN[5]CH)	108.5995	0.046	2	108.5995	0.002	2	108.1730	0.243	4	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[3,5]C[5])(CClHH)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[3,5]C[5])(CClHH)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	H(CN[5]CH)	108.1080	0.089	2	108.1080	0.008	2	108.1080	0.008	2	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[3x5]C[5])(CCHH)(H)2	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[3x5]C[5])(CCHH)(H)2	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	H(CN[5]CH)	108.6040	0.031	2	108.6040	0.001	2	108.6040	0.001	2	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]CH)	108.8803	0.421	6	108.8803	0.178	6	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CN[5]CH)	109.0690	0.174	2	109.0690	0.030	2	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	H(CN[5]CH)	108.4400	0.020	2	108.4400	0.000	2	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CN[5]CH)	109.2470	0.034	2	109.2470	0.001	2	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	H(CN[5]CH)	108.7690	0.000	1	108.7690	0.000	1	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CF3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CF3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CN[5]CH)	108.3787	0.377	4	108.3787	0.142	4	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]CH)	109.0115	0.231	23	109.0115	0.054	23	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]CH)	108.8370	0.060	4	108.8370	0.004	4	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	H(CN[5]CH)	109.1220	0.020	2	109.1220	0.000	2	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CHHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CHHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	H(CN[5]CH)	108.6190	0.014	2	108.6190	0.000	2	108.8994	0.105	48	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	H(CN[5]CH)	108.9655	0.049	2	108.9655	0.002	2	108.9655	0.002	2	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	108.7320	0.020	2	108.8503	0.019	4	108.9760	0.049	6	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){2|C<4>,3|C<3>,4|H<1>}	H(CN[5]CH)	108.9685	0.019	2	108.8503	0.019	4	108.9760	0.049	6	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(CN[5]CH)	109.2275	0.019	2	109.2275	0.000	2	108.9760	0.049	6	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	108.8580	0.055	2	108.8580	0.003	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH){2|C<3>,5|H<1>}	H(CN[5]CH)	109.1265	0.012	2	109.1265	0.000	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	H(CN[5]CH)	108.6111	0.166	11	108.6111	0.027	11	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHO)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHO)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	H(CN[5]CH)	108.5005	0.144	4	108.5005	0.021	4	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	H(CN[5]CH)	108.5620	0.006	2	108.5620	0.000	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	H(CN[5]CH)	107.6775	0.009	2	107.6775	0.000	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	H(CN[5]CH)	108.4677	0.284	4	108.0402	0.252	9	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,8|H<1>}	H(CN[5]CH)	107.6982	0.338	5	108.0402	0.252	9	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH){1|N<3>,2|H<1>,3|C<4>}	H(CN[5]CH)	108.2870	1.797	2	108.2870	3.231	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	H(CN[5]CH)	108.5858	0.061	4	108.5858	0.004	4	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CH)	109.2515	0.039	2	109.2515	0.002	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.8340	0.214	3	109.0110	0.060	6	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CN[5]CH)	109.1880	0.094	3	109.0110	0.060	6	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	H(CN[5]CH)	108.8457	0.314	27	108.8457	0.099	27	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHO)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|W<7>,2|H<1>,4|C<4>}	H(CN[5]CH)	109.3280	0.215	4	109.3280	0.046	4	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	H(CN[5]CH)	106.9820	1.088	2	106.9820	1.183	2	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(CN[5]CH)	109.2963	0.021	4	109.2828	0.001	6	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	H(CN[5]CH)	109.2560	0.024	2	109.2828	0.001	6	108.6921	0.335	85	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CBrHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CBrHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	108.7850	0.016	2	108.7850	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){1|C<3>,1|H<1>}	H(CN[5]CH)	108.6600	0.058	2	108.6600	0.003	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	108.7177	0.165	7	108.7177	0.027	7	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.4827	0.040	4	108.5957	0.032	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	108.8215	0.025	2	108.5957	0.032	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	H(CN[5]CH)	107.6835	0.166	2	107.6835	0.028	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CN[5]CH)	108.6125	0.012	2	108.6125	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CN[5]CH)	109.1465	0.029	2	109.1465	0.001	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	108.3392	0.814	4	108.3392	0.662	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH){1|N<2>,3|C<3>}	H(CN[5]CH)	108.6940	0.040	2	108.6940	0.002	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	H(CN[5]CH)	108.8575	0.008	2	108.8575	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	H(CN[5]CH)	113.4795	12.995	2	113.4795	168.857	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	H(CN[5]CH)	109.4540	0.062	2	109.4540	0.004	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	H(CN[5]CH)	109.2480	0.024	3	109.2480	0.001	3	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	H(CN[5]CH)	109.0434	0.219	8	109.0434	0.048	8	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH){1|C<3>}	H(CN[5]CH)	109.0825	0.005	2	109.0825	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]CH)	108.8115	0.028	2	108.9303	0.019	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>}	H(CN[5]CH)	109.0490	0.008	2	108.9303	0.019	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>}	H(CN[5]CH)	109.0180	0.000	1	109.0180	0.000	1	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	H(CN[5]CH)	108.7810	0.108	4	108.7810	0.012	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	H(CN[5]CH)	109.1385	0.005	2	109.1241	0.026	14	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	109.1218	0.176	12	109.1241	0.026	14	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.1040	0.046	4	109.1040	0.002	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.9470	0.007	2	108.9470	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	109.0970	0.190	4	109.0970	0.036	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|O<1>}	H(CN[5]CH)	108.9730	0.000	1	108.9160	0.012	5	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	108.7995	0.012	2	108.9160	0.012	5	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	H(CN[5]CH)	109.0040	0.010	2	108.9160	0.012	5	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.9480	0.006	2	108.9480	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(CN[5]CH)	108.9930	0.429	26	108.9930	0.184	26	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	108.6975	0.019	2	108.6975	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	H(CN[5]CH)	109.4090	0.008	2	109.4090	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH){1|Re<7>,1|H<1>}	H(CN[5]CH)	108.9025	0.047	2	108.9025	0.002	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	H(CN[5]CH)	106.8277	1.967	10	107.5956	3.377	16	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	H(CN[5]CH)	108.6870	0.024	2	107.5956	3.377	16	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	H(CN[5]CH)	108.9695	0.064	4	107.5956	3.377	16	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	111.5465	2.139	2	110.1800	4.015	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){3|C<3>}	H(CN[5]CH)	108.8135	0.022	2	110.1800	4.015	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	110.5555	1.698	2	110.5555	2.882	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH){1|O<1>,2|C<3>,2|H<1>}	H(CN[5]CH)	109.0590	0.014	2	109.0590	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>}	H(CN[5]CH)	108.9713	0.025	3	108.9713	0.001	3	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH){1|H<1>,2|C<4>}	H(CN[5]CH)	108.7235	0.042	2	108.7235	0.002	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8810	0.028	2	108.8810	0.001	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.9030	0.018	2	108.9030	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.5187	0.067	3	109.5187	0.005	3	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	109.1085	0.018	2	109.1085	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	109.3338	0.140	8	109.3338	0.020	8	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.0555	0.026	2	109.0555	0.001	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CN[5]CH)	109.0160	0.060	8	109.0160	0.004	8	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH){2|H<1>,2|O<2>}	H(CN[5]CH)	109.3460	0.028	2	109.3460	0.001	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	108.8162	0.258	6	108.8162	0.066	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.3500	0.018	2	109.3500	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	H(CN[5]CH)	107.8335	1.869	4	107.8335	3.493	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	107.7020	2.910	2	107.7020	8.471	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	H(CN[5]CH)	108.4505	0.028	2	108.4505	0.001	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(CN[5]CH)	109.0535	0.011	2	109.0535	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.0798	0.421	4	109.0798	0.177	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	108.8151	0.429	11	108.8151	0.184	11	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH){3|H<1>}	H(CN[5]CH)	108.8135	0.063	2	108.8135	0.004	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(CN[5]CH)	108.6074	1.018	5	108.6074	1.037	5	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	H(CN[5]CH)	109.1865	0.012	2	109.1865	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	H(CN[5]CH)	109.1800	0.008	2	109.1800	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	H(CN[5]CH)	108.6570	0.134	6	108.6570	0.018	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	H(CN[5]CH)	108.8710	0.209	8	108.8710	0.044	8	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	H(CN[5]CH)	109.0060	0.041	2	109.0060	0.002	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(CN[5]CH)	108.1990	1.086	2	108.1990	1.180	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	108.9380	0.064	2	108.9380	0.004	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CN[5]CH)	109.0203	0.120	6	109.0203	0.014	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	109.4050	0.008	2	109.4050	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	H(CN[5]CH)	109.4655	0.009	2	109.4655	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){1|N<2>,2|C<3>,2|C<4>}	H(CN[5]CH)	108.8825	0.016	2	109.0370	0.018	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){2|C<4>,3|C<3>}	H(CN[5]CH)	109.1142	0.083	4	109.0370	0.018	6	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	H(CN[5]CH)	109.2355	0.053	2	109.2355	0.003	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	108.8515	0.317	8	108.8515	0.100	8	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){2|H<1>}	H(CN[5]CH)	108.8135	0.009	2	108.9151	0.004	10	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	H(CN[5]CH)	108.9405	0.035	8	108.9151	0.004	10	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.3605	3.911	2	107.4880	7.856	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	H(CN[5]CH)	106.6155	2.286	2	107.4880	7.856	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	108.6021	1.385	12	108.6021	1.919	12	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.1968	0.031	4	109.1968	0.001	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.3450	0.017	2	109.3450	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.3240	0.084	4	109.3240	0.007	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.4605	0.006	2	109.4605	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHOO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHOO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	H(CN[5]CH)	108.9220	0.013	2	108.9220	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	108.2715	1.300	4	108.2715	1.689	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	108.8990	0.628	11	108.8990	0.394	11	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.5872	0.838	4	109.5872	0.703	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CN[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	H(CN[5]CH)	109.1230	0.300	4	109.1230	0.090	4	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRhHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRhHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	H(CN[5]CH)	109.5800	0.018	2	109.5800	0.000	2	108.8972	1.350	333	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ga[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	H(CN[5]CH)	108.9124	0.123	5	108.9124	0.015	5	108.9124	0.015	5	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	H(CN[5]CH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,3|C<4>,4|C<3>}	H(CN[5]CH)	108.2638	0.051	4	108.2638	0.003	4	108.2638	0.003	4	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.8217	0.070	3	108.8217	0.005	3	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.8450	0.017	3	108.8450	0.000	3	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.8498	0.047	4	108.8498	0.002	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.6554	0.214	8	108.6554	0.046	8	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.4474	0.419	10	108.4474	0.175	10	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5967	0.056	7	108.5967	0.003	7	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.4667	0.157	3	108.4667	0.025	3	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5218	0.456	20	108.5218	0.207	20	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.7197	0.224	7	108.7197	0.050	7	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.3955	0.083	4	108.3955	0.007	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.4855	0.424	2	108.4855	0.179	2	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.8682	0.150	11	108.8682	0.023	11	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.7905	0.158	11	108.7905	0.025	11	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.4733	0.325	28	108.4733	0.106	28	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5953	0.167	11	108.5953	0.028	11	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.6470	0.163	4	108.6470	0.027	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.7635	0.169	2	108.7635	0.029	2	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5097	0.084	4	108.5097	0.007	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.6620	0.128	8	108.6620	0.016	8	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.4772	0.109	8	108.4772	0.012	8	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.5755	0.160	4	108.5755	0.026	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.6539	0.409	20	108.6539	0.167	20	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	108.3287	0.461	8	108.3287	0.212	8	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.7560	0.075	4	108.7560	0.006	4	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	H(CN[5]CH)	108.8141	0.264	7	108.8141	0.070	7	108.6058	0.099	201	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	H(CN[5]CH)	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	108.9708	0.349	11	108.9708	0.122	11	108.9745	0.101	13	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CH3)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CH3)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	H(CN[5]CH)	108.9950	0.017	2	108.9950	0.000	2	108.9745	0.101	13	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Si[3x5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	H(CN[5]CH)	108.3603	0.032	3	108.3603	0.001	3	108.3603	0.001	3	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP)	H(CN[5]HP)	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP){2|H<1>}	H(CN[5]HP)	108.8970	0.054	2	108.8970	0.003	2	108.8970	0.003	2	108.7789	0.733	711	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	H(CN[5]CH)	107.2160	0.509	2	107.2160	0.259	2	107.2160	0.259	2	108.3547	1.112	9	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	H(CN[5]CH)	109.4300	0.014	2	109.4300	0.000	2	109.4300	0.000	2	108.3547	1.112	9	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	H(CN[5]CH)	107.3250	0.016	2	107.3250	0.000	2	107.3250	0.000	2	108.3547	1.112	9	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[5]N[5]H)	109.0833	0.092	3	109.0833	0.008	3	109.0833	0.008	3	108.3547	1.112	9	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	5:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	H(CN[5]CH)	108.4527	0.064	4	108.4527	0.004	4	108.3988	0.049	15	108.3988	0.049	15	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	5:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	H(CN[5]CH)	108.5735	0.147	4	108.5735	0.022	4	108.3988	0.049	15	108.3988	0.049	15	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	5:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	H(CN[5]CH)	108.5167	0.116	3	108.5167	0.014	3	108.3988	0.049	15	108.3988	0.049	15	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	5:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	H(CN[5]CH)	108.0817	0.054	4	108.0817	0.003	4	108.3988	0.049	15	108.3988	0.049	15	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:1:1:	5:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	H(CN[5]CH)	108.4620	0.034	2	108.4620	0.001	2	108.4620	0.001	2	108.4620	0.001	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:2:1:	3:2:4:	4:	N[5]-3:C-4:O-2:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](C[5]N[5]C)(N[5]N[5])(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	N[5](C[5]N[5]C)(N[5]N[5])(CCHO){1|Ru<8>}	H(CN[5]CO)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:2:1:	3:3:4:	4:	N[5]-3:C-4:C-2:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CN)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CN)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:2:1:	4:3:4:	4:	N[5]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	H(CN[5]CO)	C(N[5]C[5]2)(CCHH)(OSi)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	H(CN[5]CO)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:2:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:S[5]-2:C-4:	C-4:	C(N[5]C[5]S[5])(CCCH)(COO)(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	H(CN[5]CC)	106.6725	0.837	2	106.6725	0.700	2	106.6725	0.700	2	106.6725	0.700	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP)	H(CC[6a]N[5]P)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	H(CC[6a]N[5]P)	107.0790	0.000	1	107.0790	0.000	1	107.6540	0.661	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP)	H(CC[6a]N[5]P)	C(C[6a]C[6a]2)(PC[6a]2Rh)(N[5]C[5]2)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	H(CC[6a]N[5]P)	108.2290	0.000	1	108.2290	0.000	1	107.6540	0.661	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CC)	107.4950	0.000	1	107.4950	0.000	1	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CC)	106.6580	0.000	1	106.6580	0.000	1	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	108.7260	0.000	1	108.7260	0.000	1	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	108.5340	0.000	1	108.5340	0.000	1	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CC)	106.2255	0.320	2	106.2255	0.103	2	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	H(CN[5]CC)	106.3775	0.605	2	106.3775	0.366	2	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	H(CN[5]CC)	106.4356	0.243	5	106.4356	0.059	5	106.8305	0.799	13	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC3)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.2655	0.095	2	106.2655	0.009	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	105.0067	0.942	3	105.0067	0.888	3	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.2900	0.574	2	106.2900	0.330	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.5010	0.000	1	106.5010	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	H(CN[5]CC)	109.6095	0.121	2	109.6095	0.015	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	106.9470	0.000	1	106.9470	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.2250	0.000	1	107.2250	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5,6]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5,6]O)2(CCCH){2|C<4>,2|H<1>}	H(CN[5]CC)	101.1230	0.000	1	101.1230	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.1410	0.765	3	107.1410	0.585	3	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.5270	0.689	2	106.5270	0.474	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.3800	0.000	1	108.0686	0.054	5	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	H(CN[5]CC)	107.9907	0.178	4	108.0686	0.054	5	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	H(CN[5]CC)	106.3200	0.000	1	106.3200	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.0620	0.000	1	107.0620	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	106.7510	0.000	1	106.7510	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COS)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.3850	0.000	1	107.3850	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.0515	0.531	4	107.0515	0.282	4	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.4970	0.799	2	107.4970	0.638	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.5210	0.156	3	106.5210	0.024	3	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.2500	0.000	1	106.2500	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.1425	1.138	6	107.1425	1.295	6	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.3855	0.084	2	106.3855	0.007	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.9620	0.000	1	108.9620	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5,6]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	H(CN[5]CC)	106.1695	1.057	2	106.1695	1.118	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	H(CN[5]CC)	107.4270	0.000	1	107.4270	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.6070	0.376	4	106.6070	0.141	4	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	H(CN[5]CC)	106.3110	0.000	1	106.3110	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	H(CN[5]CC)	106.6025	0.523	2	106.6025	0.273	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CHH)(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CHH)(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.0655	2.508	2	106.0655	6.291	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.8110	0.373	3	106.8110	0.139	3	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.3770	0.000	1	107.3770	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CHHO)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.2440	0.000	1	107.2440	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CHHS)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.9960	0.000	1	107.9960	0.000	1	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CPdHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CPdHH)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.7080	0.188	2	106.7080	0.035	2	106.8393	1.550	66	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CBrCH)(NCH)(H)	N[5](C[5]C[5]O)2(CCHN)	H(CN[5]CN)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	N[5](C[5]C[5]O)2(CCHN){4|H<1>}	H(CN[5]CN)	108.4940	0.000	1	108.4940	0.000	1	108.1800	0.197	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CCHN)	H(CN[5]CN)	C(N[5]C[5]2)(CCHH)(NCH)(H)	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	H(CN[5]CN)	107.8660	0.000	1	107.8660	0.000	1	108.1800	0.197	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Cl<1>,1|C<4>}	H(CN[5]CO)	108.7910	0.000	1	108.7910	0.000	1	108.3665	0.360	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO){1|C<4>,1|H<1>}	H(CN[5]CO)	107.9420	0.000	1	107.9420	0.000	1	108.3665	0.360	2	106.9246	1.435	85	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	H(CN[5]CC)	98.0542	0.000	1	101.8616	28.993	2	101.8616	28.993	2	101.8616	28.993	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	3:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	H(CN[5]CC)	105.6690	0.000	1	101.8616	28.993	2	101.8616	28.993	2	101.8616	28.993	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	106.1190	0.074	2	106.1190	0.005	2	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	108.2420	0.000	1	108.2420	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	108.4570	0.000	1	108.4570	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	H(CN[5]CC)	107.7550	0.000	1	107.7550	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	H(CN[5]CC)	108.5400	0.000	1	107.0047	0.917	24	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	H(CN[5]CC)	108.3760	0.279	2	107.0047	0.917	24	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	106.8010	0.837	21	107.0047	0.917	24	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	H(CN[5]CC)	107.4160	0.000	1	107.4160	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	106.3507	0.131	3	106.3507	0.017	3	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	106.3755	0.848	2	106.3755	0.719	2	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	H(CN[5]CC)	107.1310	0.000	1	107.1310	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	H(CN[5]CC)	103.7580	0.000	1	103.7580	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	107.2091	0.466	7	107.2091	0.218	7	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	H(CN[5]CC)	106.1290	0.000	1	106.1290	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	H(CN[5]CC)	108.0010	0.000	1	108.0010	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	H(CN[5]CC)	107.9760	0.000	1	107.9760	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	106.7260	0.000	1	106.7260	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(CNO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CHHN)(CNO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	H(CN[5]CC)	107.3940	0.000	1	107.3940	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CHHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	H(CN[5]CC)	107.1460	0.000	1	107.1460	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CSiCH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	105.6160	0.000	1	105.6160	0.000	1	106.9483	0.935	51	106.9483	0.935	51	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(CN[5]CC)	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	2:2:4:	4:	N[5]-3:C-4:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH)	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	H(CN[5]CC)	108.4800	0.000	1	108.4800	0.000	1	108.4105	0.010	2	108.4105	0.010	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	2:2:4:	4:	N[5]-3:C-4:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH)	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	H(CN[5]CC)	108.3410	0.000	1	108.3410	0.000	1	108.4105	0.010	2	108.4105	0.010	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C-4:	C(N[5]C[5,6a]Se[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]Se[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	H(CN[5]CC)	108.2055	0.074	2	108.2055	0.006	2	108.2055	0.006	2	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	H(CN[5]CC)	106.9023	1.147	3	106.9023	1.315	3	107.2007	1.233	4	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-2:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	H(CN[5]CC)	108.0960	0.000	1	108.0960	0.000	1	107.2007	1.233	4	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	107.6093	0.066	3	107.6093	0.004	3	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	107.0110	0.066	2	107.0110	0.004	2	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	108.3230	0.144	2	108.3230	0.021	2	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	107.7450	0.000	1	107.7450	0.000	1	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]S)(N[5]O[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5]S)(N[5]O[5])(CCCH){1|N<2>}	H(CN[5]CC)	104.3150	0.653	4	104.3150	0.426	4	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	H(CN[5]CC)	108.4500	0.000	1	108.4500	0.000	1	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.3180	0.131	3	108.3180	0.017	3	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.8720	0.000	1	107.8720	0.000	1	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.0641	0.595	18	108.0674	0.334	19	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:2:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>}	H(CN[5]CC)	108.1270	0.000	1	108.0674	0.334	19	107.5849	1.679	36	107.5913	1.528	43	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	H(CN[5]CC)	107.9940	0.397	2	107.9940	0.158	2	107.9940	0.158	2	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]CC)	108.5510	0.260	2	108.5510	0.068	2	108.5510	0.068	2	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	H(CN[5]CC)	106.7350	0.000	1	106.7350	0.000	1	106.7350	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCHH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	H(CN[5]CC)	106.2380	0.000	1	106.2380	0.000	1	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|N<2>,2|C<3>}	H(CN[5]CC)	107.4590	0.000	1	107.4590	0.000	1	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH){1|Zn<4>,1|H<1>,4|C<3>}	H(CN[5]CC)	107.7550	0.000	1	107.7550	0.000	1	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	H(CN[5]CC)	107.1492	0.024	4	107.1492	0.001	4	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1290	0.193	4	107.1290	0.037	4	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.4900	0.273	4	107.4900	0.075	4	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1277	0.241	19	107.1277	0.058	19	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.2449	0.371	8	107.2449	0.138	8	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.8883	0.719	20	107.8883	0.518	20	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1323	0.610	7	107.1323	0.372	7	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	106.7495	0.123	4	106.7495	0.015	4	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	106.8721	0.263	10	106.8721	0.069	10	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.0812	0.273	4	107.0812	0.075	4	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	106.6585	1.229	107	106.6585	1.510	107	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	106.7720	0.386	9	106.7720	0.149	9	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	105.8797	1.646	6	105.8797	2.710	6	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1396	0.215	5	107.0349	0.077	8	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|H<1>,3|C<3>}	H(CN[5]CC)	106.8603	0.322	3	107.0349	0.077	8	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.0485	0.400	6	107.0485	0.160	6	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1289	0.377	15	107.1289	0.142	15	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Ni<5>,1|H<1>,2|C<3>}	H(CN[5]CC)	106.9643	0.181	3	107.1078	0.033	15	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Zn<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1437	0.171	12	107.1078	0.033	15	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	H(CN[5]CC)	107.9010	0.404	2	107.9010	0.164	2	106.9422	0.927	255	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC3)(CH3)(H)	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(CH3)(H)	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	H(CN[5]CC)	103.3615	3.774	2	103.3615	14.242	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.2190	0.000	1	106.2190	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.0710	0.000	1	108.0710	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	N[5](C[5]C[5]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	N[5](C[5]C[5]O)2(CCCH){4|H<1>}	H(CN[5]CC)	105.1095	4.257	2	105.1095	18.126	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.2280	0.789	3	107.2280	0.622	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	106.3360	0.000	1	106.3360	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.3975	0.602	6	107.3975	0.362	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.7705	0.235	2	107.7705	0.055	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.0651	0.577	8	107.0651	0.334	8	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.8760	0.427	2	108.8760	0.182	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	106.7972	0.819	6	106.7972	0.670	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.7135	0.064	2	107.7252	0.106	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.7310	0.419	4	107.7252	0.106	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.6790	0.346	2	107.6790	0.120	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.7740	0.000	1	106.7740	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	105.7780	0.000	1	105.7780	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH){1|C<4>}	H(CN[5]CC)	107.3980	0.775	2	107.3980	0.601	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.9515	0.554	2	107.9515	0.307	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.5440	0.000	1	107.5440	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CFeHH)(CH3)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CFeHH)(CH3)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	108.8420	0.000	1	108.8420	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(CN[5]CC)	107.9075	0.105	2	107.9075	0.011	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	H(CN[5]CC)	106.3025	0.323	2	106.3025	0.104	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	H(CN[5]CC)	105.0865	1.259	2	105.0865	1.586	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	H(CN[5]CC)	106.8750	0.178	2	106.6518	0.143	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	H(CN[5]CC)	106.5403	0.422	4	106.6518	0.143	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CN[5]CC)	108.2572	0.416	4	108.2006	0.143	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	H(CN[5]CC)	108.0980	0.167	4	108.2006	0.143	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CN[5]CC)	108.2465	0.551	4	108.2006	0.143	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	H(CN[5]CC)	107.5520	0.000	1	107.5520	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	H(CN[5]CC)	106.6245	0.299	2	106.6245	0.089	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	H(CN[5]CC)	108.6045	0.296	2	108.6045	0.088	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	H(CN[5]CC)	107.9403	0.224	6	107.9403	0.050	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	H(CN[5]CC)	106.7310	0.117	4	106.7310	0.014	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5,6]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	H(CN[5]CC)	104.1290	0.000	1	104.1290	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	H(CN[5]CC)	106.9580	0.000	1	106.9580	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	H(CN[5]CC)	107.1910	0.000	1	107.1910	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.3625	0.525	2	107.3625	0.276	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	H(CN[5]CC)	106.7155	0.026	2	106.7525	0.011	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	H(CN[5]CC)	106.8120	0.211	2	106.7525	0.011	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	H(CN[5]CC)	106.7300	0.016	2	106.7525	0.011	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	H(CN[5]CC)	106.5698	0.213	21	106.5698	0.045	21	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.7945	0.296	2	106.7945	0.088	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	H(CN[5]CC)	107.8307	0.455	19	107.8307	0.207	19	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	H(CN[5]CC)	106.4306	1.135	105	106.4306	1.289	105	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	H(CN[5]CC)	106.5834	0.208	13	106.5834	0.043	13	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	H(CN[5]CC)	106.5331	0.872	10	106.5331	0.760	10	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.6887	1.331	12	108.6887	1.771	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.2840	0.424	5	108.3858	0.664	30	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.1621	0.250	15	108.3858	0.664	30	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Pt<6>,1|C<4>}	H(CN[5]CC)	108.5745	0.330	4	108.3858	0.664	30	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	H(CN[5]CC)	108.9040	1.719	6	108.3858	0.664	30	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.0366	0.242	8	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.2596	1.622	24	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	H(CN[5]CC)	108.4140	0.000	1	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	H(CN[5]CC)	107.9550	0.000	1	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<6>,1|C<4>}	H(CN[5]CC)	107.4180	0.000	2	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<8>,1|C<4>}	H(CN[5]CC)	106.8180	0.000	1	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Pd<4>,1|C<4>}	H(CN[5]CC)	107.4630	0.000	1	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ru<6>,1|C<3>}	H(CN[5]CC)	107.4650	0.000	1	107.4737	1.739	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	106.4445	1.242	4	106.6604	1.389	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	H(CN[5]CC)	107.5240	0.000	1	106.6604	1.389	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.1770	0.273	8	108.1770	0.075	8	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	H(CN[5]CC)	107.9577	0.137	3	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.9377	0.260	4	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	104.4550	0.811	3	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	H(CN[5]CC)	107.8778	0.145	5	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	H(CN[5]CC)	110.4460	0.000	1	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	H(CN[5]CC)	107.7370	0.040	2	107.4610	2.372	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	H(CN[5]CC)	107.2200	0.000	1	107.2200	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	H(CN[5]CC)	107.0105	0.022	2	106.8852	0.174	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	H(CN[5]CC)	106.8225	0.524	4	106.8852	0.174	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	H(CN[5]CC)	107.2340	0.000	1	107.2567	0.093	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	H(CN[5]CC)	107.4480	0.277	2	107.2567	0.093	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	H(CN[5]CC)	106.8970	0.000	1	107.2567	0.093	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CC)	107.4930	0.000	1	107.4930	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	106.5700	0.000	1	106.6260	0.006	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	H(CN[5]CC)	106.6820	0.000	1	106.6260	0.006	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.8870	0.000	1	109.3410	8.182	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	H(CN[5]CC)	109.4545	3.290	4	109.3410	8.182	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	106.5760	0.000	1	106.5760	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	H(CN[5]CC)	108.3495	0.139	2	108.3495	0.019	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	H(CN[5]CC)	107.8860	0.334	2	107.8860	0.111	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	108.0570	0.345	2	107.2223	2.150	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	H(CN[5]CC)	105.5530	0.000	1	107.2223	2.150	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	106.5850	0.000	1	106.5850	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	H(CN[5]CC)	110.3330	0.000	1	110.3330	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.1637	1.390	7	107.1637	1.933	7	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	106.1033	0.330	3	106.1033	0.109	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH){3|C<3>}	H(CN[5]CC)	107.7640	0.000	1	107.7640	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	H(CN[5]CC)	107.9425	0.077	4	107.9425	0.006	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	H(CN[5]CC)	106.6190	0.045	2	106.6190	0.002	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	H(CN[5]CC)	106.1665	0.422	4	106.1665	0.178	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	H(CN[5]CC)	106.5595	0.288	2	106.5595	0.083	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	H(CN[5]CC)	106.7525	0.103	2	106.6583	0.028	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	H(CN[5]CC)	106.5640	0.197	2	106.6583	0.028	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	H(CN[5]CC)	106.6485	0.084	4	106.6485	0.007	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.5250	0.180	24	106.5250	0.032	24	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.9190	0.103	4	107.9190	0.011	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.5480	0.363	2	107.5480	0.132	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	104.9665	4.102	2	104.9665	16.826	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.3790	0.180	2	108.3790	0.032	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	105.2534	2.679	39	105.2534	7.179	39	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.9570	0.289	54	107.9570	0.083	54	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.8505	0.315	2	107.8505	0.099	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	107.3665	0.071	2	107.3665	0.005	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.6110	0.337	2	108.0451	0.093	17	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.1029	0.261	15	108.0451	0.093	17	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){1|B<4>,1|H<1>}	H(CN[5]CC)	106.3997	0.190	3	106.2312	0.651	112	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.2265	0.817	109	106.2312	0.651	112	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.9555	0.128	2	107.8432	0.257	17	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.8282	0.539	15	107.8432	0.257	17	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.6078	0.228	16	106.6078	0.052	16	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.2905	0.866	26	106.2905	0.750	26	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	107.3762	1.213	5	107.3762	1.471	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	108.4950	0.000	1	107.9682	0.745	13	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.9324	0.551	5	107.9682	0.745	13	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.9186	1.113	7	107.9682	0.745	13	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.2952	0.297	4	106.2952	0.088	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.6478	0.297	4	106.6478	0.088	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.3403	0.339	3	106.3403	0.115	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.2303	0.463	3	108.2303	0.214	3	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.3319	0.700	63	106.3319	0.490	63	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.9303	0.077	3	107.8413	0.151	103	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.8386	0.393	100	107.8413	0.151	103	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	H(CN[5]CC)	106.6783	0.171	6	106.6783	0.029	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.6432	0.299	4	106.6432	0.089	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	107.9715	0.064	2	107.9527	0.167	26	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.0273	0.430	10	107.9527	0.167	26	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.8968	0.431	14	107.9527	0.167	26	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.3830	0.601	4	106.3830	0.361	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.3025	0.589	2	107.9818	0.168	23	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.0465	0.341	21	107.9818	0.168	23	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.4232	0.098	12	106.4232	0.010	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.4027	0.259	14	106.4027	0.067	14	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	108.1610	0.000	1	107.8754	1.130	14	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.2435	0.808	4	107.8754	1.130	14	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	107.6800	1.212	9	107.8754	1.130	14	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	106.4610	0.000	1	106.2219	0.497	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.2079	0.724	17	106.2219	0.497	18	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	108.0780	0.691	5	108.0633	0.230	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.0529	0.322	7	108.0633	0.230	12	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.9985	0.294	4	106.9985	0.087	4	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.6530	0.048	2	108.0072	0.817	15	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	H(CN[5]CC)	108.0617	0.964	13	108.0072	0.817	15	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.6239	0.226	30	106.6239	0.051	30	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.4515	0.052	2	106.4515	0.003	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.6635	0.170	6	106.6635	0.029	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.7070	0.413	2	106.7070	0.171	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	H(CN[5]CC)	106.3075	0.120	2	106.3075	0.014	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	H(CN[5]CC)	106.5415	0.069	2	106.5415	0.005	2	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	H(CN[5]CC)	106.9075	0.097	2	106.5542	0.145	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	H(CN[5]CC)	106.1890	0.404	2	106.5542	0.145	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	H(CN[5]CC)	106.5660	0.182	2	106.5542	0.145	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	H(CN[5]CC)	106.5525	0.347	2	106.6452	0.047	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	H(CN[5]CC)	106.7615	0.190	2	106.6452	0.047	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	H(CN[5]CC)	106.6215	0.187	2	106.6452	0.047	6	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CIrHH)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CIrHH)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	109.7430	0.000	1	109.7430	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuHH)(CH3)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	108.6430	0.000	1	108.6430	0.000	1	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuHH)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	H(CN[5]CC)	106.1734	2.041	5	106.1734	4.167	5	107.0448	1.539	1174	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	H(CN[5]CC)	102.7490	0.000	1	102.7490	0.000	1	102.7490	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,6|B<6>}	H(CN[5]CC)	105.8560	0.000	1	105.8560	0.000	1	105.8560	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[5]-3:C[5]-3:C-4:	C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	H(CN[5]CC)	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|N<3>,6|B<6>}	H(CN[5]CC)	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:O-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO)	H(CN[5]CO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO){1|C<4>,1|H<1>}	H(CN[5]CO)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH)	H(CC[5]N[5]C)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH){1|C<3>,1|H<1>}	H(CC[5]N[5]C)	106.0960	0.000	1	106.0960	0.000	1	107.0465	1.807	2	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH)	H(CC[5]N[5]C)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH){2|H<1>}	H(CC[5]N[5]C)	107.9970	0.000	1	107.9970	0.000	1	107.0465	1.807	2	107.0286	1.441	1441	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C-4:	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	H(CN[5]CC)	107.3820	0.099	2	107.3820	0.010	2	107.3820	0.010	2	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|W<7>,2|C<4>,4|H<1>}	H(CN[5]CC)	108.6350	0.000	1	108.6350	0.000	1	108.3385	0.176	2	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	H(CN[5]CC)	108.0420	0.000	1	108.0420	0.000	1	108.3385	0.176	2	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	H(CN[5]CC)	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	105.6320	0.000	1	105.6320	0.000	1	106.5378	0.647	5	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	106.4087	0.152	3	106.4087	0.023	3	106.5378	0.647	5	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(CN[5]CC)	107.8310	0.000	1	107.8310	0.000	1	106.5378	0.647	5	107.1678	0.860	10	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:2:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[5]-4:N[5]-2:C-4:	C-4:	C(N[5]Si[5]N[5])(CH3)2(H)	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH)	H(CN[5]CC)	C(N[5]Si[5]N[5])(CH3)2(H)	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH){1|C<4>}	H(CN[5]CC)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH)	H(CN[5]CC)	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH){6|C<3>}	H(CN[5]CC)	107.5550	0.000	1	107.5550	0.000	1	107.8890	0.223	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH){1|C<4>,1|O<1>,4|C<3>}	H(CN[5]CC)	108.2230	0.000	1	108.2230	0.000	1	107.8890	0.223	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	H(CN[5]CC)	105.3770	0.000	1	105.3770	0.000	1	106.0215	0.831	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	H(CN[5]CC)	106.6660	0.000	1	106.6660	0.000	1	106.0215	0.831	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH){1|C<4>,3|C<3>,4|H<1>}	H(CN[5]CC)	102.0460	0.000	1	102.0460	0.000	1	102.0460	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	104.0760	0.000	1	104.0760	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH){1|C<3>,2|H<1>}	H(CN[5]CC)	106.0540	0.000	1	106.0540	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	H(CN[5]CC)	105.1060	0.000	1	105.1060	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH){1|Fe<10>,2|C<4>}	H(CN[5]CC)	106.8530	0.000	1	106.8530	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	104.8360	0.000	1	104.8360	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(CN[5]CC)	106.1913	0.586	3	106.1913	0.344	3	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){2|C<4>,2|H<1>}	H(CN[5]CC)	108.2470	0.000	1	108.2470	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	H(CN[5]CC)	107.0810	0.185	2	107.0810	0.034	2	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	H(CN[5]CC)	107.8118	0.217	5	107.8118	0.047	5	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH){1|C<4>,2|H<1>}	H(CN[5]CC)	108.2290	0.000	1	108.2290	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	107.6107	0.420	3	107.6107	0.176	3	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	H(CN[5]CC)	108.5120	0.000	1	108.5120	0.000	1	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	H(CN[5]CC)	107.9198	0.393	6	107.9198	0.155	6	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	H(CN[5]CC)	107.3215	0.326	2	107.3215	0.106	2	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH){1|C<4>,1|O<1>}	H(CN[5]CC)	107.6690	0.057	2	107.6690	0.003	2	107.2271	1.207	31	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Ga[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ga[5]C[5])(CH3)2(H)	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]Ga[5]C[5])(CH3)2(H)	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>}	H(CN[5]CC)	108.6248	0.141	4	108.6248	0.020	4	108.6248	0.020	4	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	H(CN[5]CC)	104.2700	0.000	1	104.2700	0.000	1	104.2700	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CHHO)2(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]S[5])(CHHO)2(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	H(CN[5]CC)	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]Si[5,5]C[5])(CH3)2(H)	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH)	H(CN[5]CC)	C(N[5]Si[5,5]C[5])(CH3)2(H)	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH){1|B<5>,1|C<4>,2|C<3>,4|B<6>}	H(CN[5]CC)	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]C[5]B)(C[5]C[5x3,6x5,20x6]N)(CCCH)	H(CN[5]CC)	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]C[5]B)(C[5]C[5x3,6x5,20x6]N)(CCCH){2|N<3>,6|B<6>}	H(CN[5]CC)	108.0610	0.000	1	108.0610	0.000	1	106.9070	2.663	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH)	H(CN[5]CC)	C(N[5]Si[5]C[5])(CH3)2(H)	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH){6|B<6>}	H(CN[5]CC)	105.7530	0.000	1	105.7530	0.000	1	106.9070	2.663	2	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[5]-4:C-4:H-1:	B[5]-4:C[5]-3:C-4:	C-4:	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH)	H(CC[5]N[5]C)	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH){2|C<3>}	H(CC[5]N[5]C)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:S-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	H(CN[5]CS)	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	H(CN[5]CS)	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:Si-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	H(CN[5]Si2)	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	H(CN[5]Si2)	104.0930	0.000	1	104.0930	0.000	1	103.9270	0.021	3	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:Si-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	H(CN[5]Si2)	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	H(CN[5]Si2)	103.8440	0.000	2	103.8440	0.000	2	103.9270	0.021	3	106.9562	2.419	50	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	H(CN[5]CC)	104.1380	4.028	2	104.1380	16.222	2	104.1380	16.222	2	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(CN[5]CC)	106.3280	0.000	1	106.3280	0.000	1	106.0675	0.136	2	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<4>,3|H<1>,4|C<3>}	H(CN[5]CC)	105.8070	0.000	1	105.8070	0.000	1	106.0675	0.136	2	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CC)	107.3070	0.000	1	107.3070	0.000	1	107.3095	0.000	2	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CC)	107.3120	0.000	1	107.3120	0.000	1	107.3095	0.000	2	106.0636	4.784	7	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:4:4:1:	5:3:4:	4:	N[5]-3:C-4:C-4:H-1:	Si[3,5]-5:C[5]-3:C-4:	C-4:	C(N[5]Si[3,5]C[5])(CH3)2(H)	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	H(CN[5]CC)	C(N[5]Si[3,5]C[5])(CH3)2(H)	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,2|N<3>,6|B<6>}	H(CN[5]CC)	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:5:1:1:	3:3:4:	4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCeCCO)(H)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCeCCO)(H)2	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH){2|H<1>,3|C<4>}	H(CN[5]CH)	108.8407	0.038	4	108.8407	0.001	4	109.2433	0.323	13	109.2433	0.323	13	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:5:1:1:	3:3:4:	4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCeCCO)(H)2	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCeCCO)(H)2	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	108.8553	0.116	3	108.8553	0.014	3	109.2433	0.323	13	109.2433	0.323	13	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:5:1:1:	3:3:4:	4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRu3C)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRu3C)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.0532	0.065	4	110.0532	0.004	4	109.2433	0.323	13	109.2433	0.323	13	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:5:1:1:	3:3:4:	4:	N[5]-3:C-5:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CRuH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CRuH3)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	H(CN[5]CH)	109.0105	0.026	2	109.0105	0.001	2	109.2433	0.323	13	109.2433	0.323	13	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	3:5:1:1:	4:3:4:	4:	N[5]-3:C-5:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCCOU)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCOU)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	108.6460	0.084	3	108.6460	0.007	3	108.6460	0.007	3	108.6460	0.007	3	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CC[5]HH){1|Zn<4>,1|H<1>}	H(CC[5]N[5]H)	109.2510	0.013	2	109.2510	0.000	2	109.2510	0.000	2	109.2510	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	107.2045	1.237	2	107.2045	1.530	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	106.4390	0.240	2	106.4390	0.058	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.0095	0.035	2	109.0095	0.001	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.3005	0.071	2	109.3005	0.005	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	107.0245	2.537	4	107.0245	6.435	4	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5,6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	H(CN[5]CH)	C(CC[5,6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	H(CN[5]CH)	108.7500	0.000	1	108.7500	0.000	1	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.6240	0.035	2	109.6240	0.001	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	110.0515	0.063	2	110.0515	0.004	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.2515	0.064	2	109.2515	0.004	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	H(CN[5]CH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	109.9615	0.019	2	109.9615	0.000	2	108.5015	2.804	21	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[3x6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[3x6]HH)	H(CC[3x6]N[5]H)	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[3x6]HH){2|C<3>}	H(CC[3x6]N[5]H)	108.5490	0.029	4	108.5490	0.001	4	108.5490	0.001	4	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	H(CC[5]N[5]H)	108.6620	0.000	1	108.6620	0.000	1	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.2377	0.230	20	109.2377	0.053	20	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	108.9020	0.306	4	108.9020	0.094	4	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.3150	0.262	3	109.3150	0.069	3	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	108.5395	0.043	2	108.5395	0.002	2	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	H(CC[5]N[5]H)	108.6550	0.024	2	108.6550	0.001	2	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.6420	0.007	2	109.6420	0.000	2	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Mn)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	H(CC[5]N[5]H)	110.3670	0.057	4	110.3670	0.003	4	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	H(CC[5]N[5]H)	109.6060	0.055	2	109.6060	0.003	2	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	H(CC[5]N[5]H)	108.1995	0.747	4	108.1995	0.557	4	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	108.9838	0.207	6	108.9838	0.043	6	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	H(CC[5]N[5]H)	109.0445	0.009	2	109.0445	0.000	2	109.1560	0.312	52	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]W)(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.3595	0.035	2	109.3595	0.001	2	109.3595	0.001	2	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]Mo)(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	109.4030	0.040	2	109.4030	0.002	2	108.8472	0.143	9	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]P[5]Fe)(N[5]C[5]N[5])(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH){2|H<1>}	H(CC[5]N[5]H)	108.6884	0.240	7	108.6884	0.057	7	108.8472	0.143	9	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CC[6,6]N[5]H)	108.5332	0.084	4	108.5332	0.007	4	108.7340	0.214	18	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6,6]N[5]H)	108.9344	0.620	8	108.9344	0.384	8	108.7340	0.214	18	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6,6]N[5]H)	108.6007	0.263	6	108.6007	0.069	6	108.7340	0.214	18	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[5,6]C[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	109.2092	0.270	4	109.2092	0.073	4	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.1155	0.008	2	108.1155	0.000	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	108.4200	0.000	1	108.4200	0.000	1	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.8460	0.000	1	108.8460	0.000	1	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2Cr)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.4400	0.006	2	109.4400	0.000	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	H(CC[6]N[5]H)	108.7650	0.000	1	108.7650	0.000	1	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	H(CC[6]N[5]H)	108.7955	0.032	2	108.7955	0.001	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	109.0642	0.148	6	109.0642	0.022	6	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	H(CC[6]N[5]H)	109.0210	0.113	5	109.0210	0.013	5	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)2(CC[6]HH){2|H<1>}	H(CC[6]N[5]H)	108.1340	0.484	2	108.1340	0.234	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2Pd)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[5]H)	109.2580	0.030	2	109.2580	0.001	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	110.4840	0.020	3	110.4840	0.000	3	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	H(CC[6]N[5]H)	108.9575	0.028	2	108.9575	0.001	2	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	108.2053	0.704	4	108.2053	0.496	4	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	H(CC[6]N[5]H)	109.5907	0.124	4	109.5907	0.015	4	109.0340	0.423	41	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>}	H(CN[5]HP)	111.0115	0.040	2	111.0115	0.002	2	110.6761	0.120	10	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ir)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP){1|C<4>,1|H<1>}	H(CN[5]HP)	110.1355	0.011	2	110.1355	0.000	2	110.6761	0.120	10	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP)	H(CN[5]HP)	C(PC[6a]2Pd)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	H(CN[5]HP)	110.7925	0.071	2	110.7925	0.005	2	110.6761	0.120	10	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]Ir)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]Ir)(CHHP){1|C<3>,1|H<1>}	H(CN[5]HP)	110.4845	0.013	2	110.4845	0.000	2	110.6761	0.120	10	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	H(CN[5]HP)	110.9565	0.069	2	110.9565	0.005	2	110.6761	0.120	10	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:3:4:	4:	Si-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(SiC[6a]CC)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CSiHH)	H(CN[5]SiH)	C(SiC[6a]CC)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(CSiHH){2|C<3>}	H(CN[5]SiH)	108.7865	0.009	2	108.7865	0.000	2	108.7865	0.000	2	109.0511	0.833	159	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C-4:C[5]-2:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	H(CC[6,6]N[5]H)	108.3430	0.024	2	108.3430	0.001	2	108.3430	0.001	2	108.3430	0.001	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C-4:C[5]-3:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6,6]N[5]H)	109.2195	0.205	4	109.2195	0.042	4	109.2195	0.042	4	109.2195	0.042	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:3:	4:	C[3x4,3x6]-4:N[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H)	H(CC[3x4,3x6]N[5]H)	C(C[3x4,3x6]C[3x4,3x6]3)(N[5]C[5]2)(H)2	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	H(CC[3x4,3x6]N[5]H)	109.2570	0.006	2	109.2570	0.000	2	109.2570	0.000	2	109.2570	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[4]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH)	H(CC[4]N[5]H)	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH){4|H<1>}	H(CC[4]N[5]H)	108.6325	0.025	2	108.6325	0.001	2	108.6325	0.001	2	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	H(CC[5,5,6]N[5]H)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	H(CC[5,5,6]N[5]H)	108.8890	0.050	4	108.8890	0.002	4	108.8890	0.002	4	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH){1|C<4>,2|H<1>}	H(CC[5]N[5]H)	108.6697	0.128	4	108.6697	0.016	4	108.8020	0.052	6	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH){1|C<4>,2|H<1>}	H(CC[5]N[5]H)	109.0665	0.032	2	109.0665	0.001	2	108.8020	0.052	6	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	H(CC[6]N[5]H)	108.7505	0.023	2	108.7505	0.001	2	109.4993	1.747	13	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	H(CC[6]N[5]H)	107.1915	1.554	2	107.1915	2.413	2	109.4993	1.747	13	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH){1|C<4>,2|H<1>}	H(CC[6]N[5]H)	110.3680	0.080	8	110.3680	0.006	8	109.4993	1.747	13	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	H(CC[6]N[5]H)	108.6630	0.000	1	108.6630	0.000	1	109.4993	1.747	13	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:3:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	H(CN[5]HP)	109.4237	0.044	3	109.4237	0.002	3	109.4237	0.002	3	109.1927	0.909	28	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[5]-3:H-1:H-1:	C[5]-4:C-4:C[5]-3:	C-4:	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	H(CC[3x6]N[5]H)	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	H(CC[3x6]N[5]H)	108.5800	0.028	2	108.5800	0.001	2	108.5800	0.001	2	108.5800	0.001	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	3:3:4:	4:	C-4:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	107.0390	0.634	2	107.0390	0.401	2	107.0390	0.401	2	106.4168	0.904	6	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	3:3:4:	4:	C-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	107.3840	0.000	1	107.3840	0.000	1	106.8920	0.484	2	106.4168	0.904	6	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	3:3:4:	4:	C-4:N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	H(CN[5]CC)	C(CC[6a]PdH)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	H(CN[5]CC)	106.4000	0.000	1	106.4000	0.000	1	106.8920	0.484	2	106.4168	0.904	6	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	3:3:4:	4:	C-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	H(CN[5]2C)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	H(CN[5]2C)	105.3195	0.045	2	105.3195	0.002	2	105.3195	0.002	2	106.4168	0.904	6	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	H(CC[6,6]C[6a]N[5])	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	H(CC[6,6]C[6a]N[5])	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:3:1:	4:3:4:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	H(CC[5]N[5]2)	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	H(CC[5]N[5]2)	106.0290	0.025	2	106.0290	0.001	2	106.0290	0.001	2	106.0290	0.001	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:4:1:	3:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N[5](C[5]C[5,6a]O)2(CC[5]CH)	H(CC[5]N[5]C)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N[5](C[5]C[5,6a]O)2(CC[5]CH){2|C<3>}	H(CC[5]N[5]C)	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	H(CC[6]N[5]C)	106.9070	0.000	1	106.9070	0.000	1	106.6360	0.053	4	106.6360	0.053	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	H(CC[6]N[5]C)	106.5457	0.173	3	106.5457	0.030	3	106.6360	0.053	4	106.6360	0.053	4	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	6:3:1:1:	4:3:2:	4:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	C-4:C[5]-3:N[5]-2:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5])	H(CC[5x3,5x5,20x6]N[5]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](CC[5x3,5x5,20x6]HH)(C[5]C[5]Ir)(N[5]N[5]){1|C<3>,1|C<4>}	H(CC[5x3,5x5,20x6]N[5]H)	109.0915	0.019	2	109.0915	0.000	2	109.0915	0.000	2	109.0915	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP2	C	N[5]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:N[5]-3:H-1:H-1:	C-4:N[5]-3:C[5]-3:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H)	H(CC[5x3,5x5,20x6]N[5]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5]N[5])(H)2	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>}	H(CC[5x3,5x5,20x6]N[5]H)	109.4560	0.004	2	109.4560	0.000	2	109.4560	0.000	2	109.4560	0.000	2	109.0627	0.988	35633	109.0627	0.988	35639
490	542	951	0:SP3_SP-NON_SP3	C	N[5,5]	H	3:1:1:1:	4:4:4:	4:	N[5,5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(N[5,5]C[5,5,6]2)(H)3	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3)	H(CN[5,5]HH)	C(N[5,5]C[5,5,6]2)(H)3	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CN[5,5]HH)	110.0783	1.360	3	110.0783	1.848	3	110.0783	1.848	3	110.0783	1.848	3	109.1216	6.843	11	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(N[5,5]C[5,5,6]2)(CCH)(H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH)	H(CN[5,5]CH)	C(N[5,5]C[5,5,6]2)(CCH)(H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH){2|H<1>,4|C<3>}	H(CN[5,5]CH)	109.3800	0.064	4	109.3800	0.004	4	109.3800	0.004	4	108.7629	8.708	8	109.1216	6.843	11	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-4:	C-4:	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	H(CN[5,5]C[6a]H)	107.0630	7.295	2	107.0630	53.210	2	107.0630	53.210	2	108.7629	8.708	8	109.1216	6.843	11	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,5]	H	3:3:1:1:	4:4:4:	4:	N[5,5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH)	H(CN[5,5]C[6a]H)	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(CN[5,5]C[6a]H)	109.2285	0.013	2	109.2285	0.000	2	109.2285	0.000	2	108.7629	8.708	8	109.1216	6.843	11	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	H(CN[5,6]HH)	110.6037	2.203	6	110.6037	4.854	6	110.6037	4.854	6	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3){1|O<2>,3|H<1>,5|C<4>}	H(CN[5,6]HH)	109.4323	0.042	3	109.4323	0.002	3	109.4323	0.002	3	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CN[5,6]HH)	109.4382	0.046	6	109.4382	0.002	6	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(CN[5,6]HH)	109.7283	1.610	6	109.7283	2.591	6	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	H(CN[5,6]HH)	109.1357	0.835	3	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CN[5,6]HH)	109.5690	2.230	9	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,8|H<1>}	H(CN[5,6]HH)	109.4650	0.012	3	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CN[5,6]HH)	109.4873	0.017	4	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,8|H<1>}	H(CN[5,6]HH)	110.3163	3.420	9	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:1:1:1:	4:4:4:	4:	N[5,6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	H(CN[5,6]HH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){3|C<4>,6|H<1>}	H(CN[5,6]HH)	109.4787	0.017	3	109.7147	4.660	31	109.6780	3.647	43	109.7706	3.575	52	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:2:1:1:	4:4:4:	4:	N[5,6]-3:C-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(CN)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	H(CN[5,6]CH)	C(N[5,6]C[5,6]2)(CN)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<3>,8|H<1>}	H(CN[5,6]CH)	109.7375	0.013	2	109.7375	0.000	2	109.7375	0.000	2	109.7375	0.000	2	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5,6]C[6a]H)	108.6360	0.000	1	108.6360	0.000	1	108.7080	0.004	3	108.7080	0.004	3	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CN[5,6]C[6a]H)	108.7440	0.004	2	108.7440	0.000	2	108.7080	0.004	3	108.7080	0.004	3	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	H(CN[5,6]CH)	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	H(CN[5,6]CH)	109.2830	0.111	6	109.2830	0.012	6	109.2830	0.012	6	109.3213	0.008	19	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C-4:	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(CN[5,6]C[6a]H)	109.3443	0.034	4	109.3443	0.001	4	109.3443	0.001	4	109.3213	0.008	19	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(CN[5,6]C[6a]H)	109.2820	0.011	2	109.2820	0.000	2	109.3367	0.008	9	109.3213	0.008	19	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH)	H(CN[5,6]C[6a]H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	H(CN[5,6]C[6a]H)	109.3523	0.097	7	109.3523	0.009	7	109.3367	0.008	9	109.3213	0.008	19	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)	H(CN[5,6]C[6a]C)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH){1|C<3>,4|H<1>}	H(CN[5,6]C[6a]C)	110.8530	2.117	2	110.8530	4.482	2	110.8530	4.482	2	110.8530	4.482	2	109.6472	2.537	78	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4614	0.058	14	109.4614	0.003	14	109.4614	0.003	14	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.4608	0.041	4	109.4608	0.002	4	109.4608	0.002	4	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4603	0.016	3	109.4603	0.000	3	109.4667	0.004	6	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]N[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4730	0.104	3	109.4730	0.011	3	109.4667	0.004	6	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|C<4>}	H(CN[5]HH)	109.4567	0.011	3	109.4567	0.000	3	109.4620	0.001	11	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	H(CN[5]HH)	109.4310	0.015	3	109.4310	0.000	3	109.4620	0.001	11	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	H(CN[5]HH)	109.4838	0.037	5	109.4838	0.001	5	109.4620	0.001	11	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	H(CN[5]HH)	109.4896	0.034	5	109.4896	0.001	5	109.4929	0.002	8	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:3:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4983	0.055	3	109.4983	0.003	3	109.4929	0.002	8	109.4681	0.002	43	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C-4:	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4725	0.025	2	109.4725	0.001	2	109.4725	0.001	2	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	B[5]-3:N[5]-4:C-4:	C-4:	C(N[5]B[5]N[5])(H)3	N[5](B[5]N[5,6]C[6a])(N[5]B[5,6]LiC)(CH3)	H(CN[5]HH)	C(N[5]B[5]N[5])(H)3	N[5](B[5]N[5,6]C[6a])(N[5]B[5,6]LiC)(CH3){2|N<4>,3|C<3>}	H(CN[5]HH)	109.4750	0.006	2	109.4750	0.000	2	109.4750	0.000	2	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4807	0.024	3	109.4807	0.001	3	109.4807	0.001	3	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	H(CN[5]HH)	109.4677	0.036	3	109.4677	0.001	3	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.4683	0.044	3	109.5777	0.218	12	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.6142	0.541	9	109.5777	0.218	12	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4715	0.024	6	109.4715	0.001	6	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(CN[5]HH)	109.6656	1.053	20	109.7712	1.258	34	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	H(CN[5]HH)	109.4729	0.048	11	109.7712	1.258	34	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(CN[5]HH)	111.5693	2.182	3	109.7712	1.258	34	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4700	0.037	2	109.4642	0.001	4	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CN[5]HH)	109.4585	0.018	2	109.4642	0.001	4	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CN[5]HH)	109.4720	0.006	2	109.4924	0.002	5	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(CN[5]HH)	109.5060	0.062	3	109.4924	0.002	5	109.6516	0.715	64	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4710	0.032	3	109.4879	0.002	9	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4963	0.055	6	109.4879	0.002	9	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4543	0.026	3	109.4679	0.001	9	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4747	0.033	6	109.4679	0.001	9	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4812	0.023	6	109.1980	3.711	56	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4767	0.013	3	109.1980	3.711	56	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	H(CN[5]HH)	109.4774	0.037	7	109.1980	3.711	56	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	108.1495	4.125	12	109.1980	3.711	56	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4870	0.061	28	109.1980	3.711	56	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CN[5]HH)	109.4503	1.329	3	109.4503	1.766	3	109.2733	2.748	77	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	H(CN[5]HH)	109.4650	0.035	2	109.4650	0.001	2	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4750	0.027	6	109.4750	0.001	6	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4715	0.021	2	109.4715	0.000	2	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	H(CN[5]HH)	109.5087	0.092	3	109.5087	0.008	3	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	H(CN[5]HH)	109.4403	0.014	3	109.4403	0.000	3	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(CN[5]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CN[5]HH)	109.4753	0.022	3	109.4753	0.000	3	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	H(CN[5]HH)	109.4686	0.036	5	109.4686	0.001	5	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(CN[5]HH)	109.4787	0.037	3	109.4787	0.001	3	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HH)	109.4595	0.025	4	109.4595	0.001	4	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4497	0.027	3	109.4497	0.001	3	109.4695	0.001	35	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]P[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6a]-3:S[5]-4:C-4:	C-4:	C(N[5]C[5,6a]S[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]S[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]HH)	109.4520	0.007	2	109.4520	0.000	2	109.4520	0.000	2	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	H(CN[5]HH)	109.3229	14.366	6	109.3229	206.396	6	109.3409	171.999	7	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4490	0.000	1	109.4490	0.000	1	109.3409	171.999	7	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	H(CN[5]HH)	108.7660	1.723	3	108.7660	2.970	3	108.6560	5.374	6	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	3:4:4:	4:	N[5]-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	H(CN[5]HH)	108.5460	3.229	3	108.5460	10.428	3	108.6560	5.374	6	109.4230	6.674	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CN[5]HH)	109.4380	0.000	1	109.4380	0.000	1	108.8924	5.893	12	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4880	0.009	3	109.4605	0.004	8	108.8924	5.893	12	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|N<2>,3|C<3>,3|H<1>}	H(CN[5]HH)	109.4440	0.083	5	109.4605	0.004	8	108.8924	5.893	12	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(CN[5]HH)	107.1957	5.161	3	107.1957	26.639	3	108.8924	5.893	12	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3){2|C<3>,2|C<4>,6|H<1>}	H(CN[5]HH)	109.4943	0.042	3	109.4943	0.002	3	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.4580	0.019	3	109.4580	0.000	3	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CN[5]HH)	109.4501	0.030	7	109.4501	0.001	7	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.5100	0.057	2	109.2547	2.957	13	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CN[5]HH)	109.4835	0.054	8	109.2547	2.957	13	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){2|C<4>,5|H<1>}	H(CN[5]HH)	108.4743	4.067	3	109.2547	2.957	13	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CN[5]HH)	109.4530	0.043	3	109.4530	0.002	3	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4628	0.029	12	109.4638	0.001	21	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4593	0.023	6	109.4638	0.001	21	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4767	0.008	3	109.4638	0.001	21	109.4084	0.733	50	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3){3|C<3>}	H(CN[5]HH)	109.4770	0.027	2	109.4770	0.001	2	109.4733	0.001	23	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4776	0.034	15	109.4776	0.001	15	109.4733	0.001	23	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4550	0.037	3	109.4615	0.001	6	109.4733	0.001	23	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){2|H<1>,3|C<3>}	H(CN[5]HH)	109.4680	0.016	3	109.4615	0.001	6	109.4733	0.001	23	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	H(CN[5]HH)	109.4755	0.012	2	109.4755	0.000	2	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4559	0.034	9	109.4559	0.001	9	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3){2|H<1>,4|C<3>}	H(CN[5]HH)	109.4827	0.028	3	109.4827	0.001	3	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4460	0.004	2	109.4460	0.000	2	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]2C)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]2C)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4453	0.018	3	109.4453	0.000	3	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[5]HH)	109.4626	0.040	5	109.4630	0.002	8	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<4>,3|H<1>}	H(CN[5]HH)	109.4637	0.051	3	109.4630	0.002	8	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CN[5]HH)	109.4670	0.040	7	109.4670	0.002	7	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	H(CN[5]HH)	109.4665	0.025	8	109.4665	0.001	8	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	H(CN[5]HH)	109.4558	0.024	5	109.4558	0.001	5	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Au<2>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4400	0.024	3	109.4597	0.001	18	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	H(CN[5]HH)	109.4643	0.028	7	109.4597	0.001	18	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	H(CN[5]HH)	109.4337	0.033	3	109.4597	0.001	18	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4777	0.035	3	109.4597	0.001	18	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:2:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CN[5]HH)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	H(CN[5]HH)	109.4855	0.021	2	109.4597	0.001	18	109.4614	0.001	65	109.4000	0.700	150	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[3x5])(H)3	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[3x5])(H)3	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	H(CN[5]HH)	109.4507	0.033	3	109.4507	0.001	3	109.4507	0.001	3	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4847	0.039	18	109.4847	0.002	18	109.4847	0.002	18	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>,3|C<3>}	H(CN[5]HH)	109.4715	0.027	4	109.4715	0.001	4	109.4715	0.001	4	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4657	0.046	3	109.4657	0.001	8	109.4658	0.001	10	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4658	0.016	5	109.4657	0.001	8	109.4658	0.001	10	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	H(CN[5]HH)	109.4660	0.011	2	109.4660	0.000	2	109.4658	0.001	10	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3){1|C<2>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4633	0.057	3	109.4633	0.003	3	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.4937	0.042	3	109.4746	0.002	5	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4460	0.010	2	109.4746	0.002	5	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4433	0.059	3	109.4433	0.004	3	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4700	0.000	1	109.4700	0.000	1	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]HH)	109.4904	0.043	5	109.4904	0.002	5	109.4715	0.002	17	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5,6a])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(CN[5]HH)	109.4517	0.033	3	109.4517	0.001	3	109.4517	0.001	3	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4607	0.045	6	109.4607	0.002	6	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4735	0.036	18	109.4735	0.001	18	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	H(CN[5]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	H(CN[5]HH)	109.4737	0.010	3	109.4737	0.000	3	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4575	0.013	6	109.4607	0.000	9	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(CN[5]HH)	109.4670	0.021	3	109.4607	0.000	9	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	H(CN[5]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CN[5]HH)	109.4290	0.040	2	109.4290	0.002	2	109.4662	0.001	39	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	H(CN[5]HH)	109.4910	0.017	3	109.4910	0.000	3	109.4878	0.001	12	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	H(CN[5]HH)	109.4858	0.050	6	109.4858	0.002	6	109.4878	0.001	12	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4970	0.000	1	109.4883	0.000	3	109.4878	0.001	12	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CN[5]HH)	109.4840	0.006	2	109.4883	0.000	3	109.4878	0.001	12	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	H(CN[5]HH)	109.4803	0.016	3	109.4803	0.000	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	H(CN[5]HH)	109.4693	0.029	3	109.4693	0.001	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CN[5]HH)	109.4720	0.027	3	109.4720	0.001	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]HH)	109.4595	0.036	2	109.1244	1.371	11	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	H(CN[5]HH)	109.0499	1.296	9	109.1244	1.371	11	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	H(CN[5]HH)	109.4123	0.220	3	109.4123	0.048	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4713	0.040	76	109.4713	0.002	76	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.5217	0.087	3	109.5217	0.008	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(CN[5]HH)	109.4860	0.000	1	109.4712	0.000	4	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4663	0.013	3	109.4712	0.000	4	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.5667	0.513	3	109.5667	0.263	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4701	0.022	7	109.4701	0.000	7	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4670	0.007	3	109.4670	0.000	3	109.4414	0.133	119	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-3:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:3:4:	4:	N[5]-3:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	H(CN[5]HH)	109.5087	0.033	3	109.5087	0.001	3	109.5087	0.001	3	109.4566	0.070	229	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5,6]C[5])(H)3	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5,6]C[5])(H)3	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4540	0.055	3	109.4540	0.003	3	109.4540	0.003	3	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(CN[5]HH)	109.9108	1.253	9	109.7715	1.095	13	109.6072	0.492	29	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4582	0.021	4	109.7715	1.095	13	109.6072	0.492	29	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(CN[5]HH)	109.4545	0.024	6	109.4643	0.001	9	109.6072	0.492	29	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(CN[5]HH)	109.4840	0.015	3	109.4643	0.001	9	109.6072	0.492	29	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(CN[5]HH)	109.4856	0.029	7	109.4856	0.001	7	109.6072	0.492	29	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(CN[5]HH)	109.4547	0.030	3	109.4547	0.001	3	109.4547	0.001	3	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	H(CN[5]HH)	109.5180	0.011	3	109.5180	0.000	3	109.4800	0.001	27	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,6|H<1>}	H(CN[5]HH)	109.4540	0.020	5	109.4540	0.000	5	109.4800	0.001	27	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.5065	0.044	6	109.4926	0.002	8	109.4800	0.001	27	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4510	0.027	2	109.4926	0.002	8	109.4800	0.001	27	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4724	0.034	11	109.4724	0.001	11	109.4800	0.001	27	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,5]2)(H)3	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]2)(H)3	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(CN[5]HH)	109.4480	0.013	3	109.4480	0.000	3	109.4480	0.000	3	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.5170	1.601	3	109.5170	2.562	3	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CN[5]HH)	109.4700	0.025	21	109.4680	0.000	32	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,1|S<2>,2|O<1>,4|C<3>}	H(CN[5]HH)	109.4690	0.015	3	109.4680	0.000	32	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,2|O<1>,5|C<3>}	H(CN[5]HH)	109.4625	0.019	8	109.4680	0.000	32	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[5]HH)	111.9427	2.235	3	109.9114	1.566	17	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]HH)	109.4818	0.040	12	109.9114	1.566	17	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){3|C<3>,3|C<4>}	H(CN[5]HH)	109.4420	0.095	2	109.9114	1.566	17	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4706	0.018	5	109.4706	0.000	5	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CN[5]HH)	109.4792	0.035	13	109.4792	0.001	13	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(CN[5]HH)	109.4575	0.036	6	109.4575	0.001	6	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4990	0.019	3	109.4813	0.001	12	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	H(CN[5]HH)	109.4890	0.021	3	109.4813	0.001	12	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|C<3>}	H(CN[5]HH)	109.4685	0.028	6	109.4813	0.001	12	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	H(CN[5]HH)	109.4570	0.031	2	109.4570	0.001	2	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4728	0.016	6	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(CN[5]HH)	109.4731	0.028	12	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(CN[5]HH)	109.4800	0.008	2	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(CN[5]HH)	109.4710	0.036	74	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(CN[5]HH)	109.7217	1.198	47	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	H(CN[5]HH)	109.4650	0.020	15	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	H(CN[5]HH)	109.4533	0.026	3	109.5445	0.432	159	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(CN[5]HH)	109.4483	0.018	3	109.4483	0.000	3	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.3995	0.012	2	109.4748	0.001	109	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4751	0.037	73	109.4748	0.001	109	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(CN[5]HH)	109.4749	0.024	28	109.4748	0.001	109	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4955	0.063	6	109.4748	0.001	109	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(CN[5]HH)	109.4537	0.037	4	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4560	0.007	2	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4696	0.024	8	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	H(CN[5]HH)	109.4795	0.022	2	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4690	0.038	22	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(CN[5]HH)	109.4723	0.023	8	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4712	0.048	16	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4910	0.011	3	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(CN[5]HH)	109.4550	0.014	3	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4947	0.055	3	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CN[5]HH)	109.4773	0.034	20	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CN[5]HH)	109.4557	0.025	3	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(CN[5]HH)	109.4722	0.035	6	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,5|C<3>}	H(CN[5]HH)	109.4786	0.034	10	109.4721	0.001	110	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CN[5]HH)	109.4800	0.017	5	109.4654	0.001	13	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(CN[5]HH)	109.4395	0.035	2	109.4654	0.001	13	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(CN[5]HH)	109.4610	0.020	3	109.4654	0.001	13	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	H(CN[5]HH)	109.4627	0.034	3	109.4654	0.001	13	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3){1|H<1>,3|C<3>,4|C<4>}	H(CN[5]HH)	109.4888	0.032	5	109.4888	0.001	5	109.5115	0.209	489	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5,5]S[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]S[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3){1|I<1>,5|C<3>}	H(CN[5]HH)	109.4890	0.016	2	109.4890	0.000	2	109.4890	0.000	2	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4780	0.023	2	109.4780	0.001	2	109.4780	0.001	2	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3){4|C<4>,4|H<1>}	H(CN[5]HH)	109.4630	0.021	6	109.4630	0.000	6	109.4798	0.002	12	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[5]C[6]O[6])(CH3)	H(CN[5]HH)	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[5]C[6]O[6])(CH3){2|C<3>,2|H<1>,4|C<4>}	H(CN[5]HH)	109.4965	0.052	6	109.4965	0.003	6	109.4798	0.002	12	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CN[5]HH)	109.4830	0.012	5	109.4830	0.000	5	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CN[5]HH)	110.3510	0.738	3	109.7905	0.372	8	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4542	0.035	5	109.7905	0.372	8	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	H(CN[5]HH)	109.4580	0.010	2	109.4580	0.000	2	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>}	H(CN[5]HH)	109.4623	0.022	3	109.4623	0.000	3	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(CN[5]HH)	109.4770	0.022	3	109.4745	0.001	32	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]HH)	109.4545	0.021	4	109.4745	0.001	32	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HH)	109.4777	0.028	22	109.4745	0.001	32	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[5]HH)	109.4747	0.023	3	109.4745	0.001	32	109.5245	0.067	50	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	H(CN[5]HH)	109.4787	0.048	69	109.4787	0.002	69	109.4734	0.002	91	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3){2|C<3>,3|C<4>,3|H<1>}	H(CN[5]HH)	109.4540	0.041	11	109.4540	0.002	11	109.4734	0.002	91	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	H(CN[5]HH)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	H(CN[5]HH)	109.4595	0.057	11	109.4595	0.003	11	109.4734	0.002	91	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3)	H(CN[5]HH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3){2|H<1>,2|O<1>,6|C<3>}	H(CN[5]HH)	109.4737	0.056	3	109.4737	0.003	3	109.4737	0.003	3	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)2(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4830	0.030	3	109.4830	0.001	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4760	0.011	3	109.4760	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	H(CN[5]HH)	109.4445	0.012	2	109.4445	0.000	2	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4733	0.013	3	109.4733	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	H(CN[5]HH)	109.4582	0.052	8	109.4582	0.003	8	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3){1|H<1>,3|C<4>}	H(CN[5]HH)	109.5190	0.042	2	109.5190	0.002	2	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4515	0.021	6	109.4515	0.000	6	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4668	0.040	5	109.4668	0.002	5	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)2(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4577	0.022	3	109.4577	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4583	0.029	3	109.4583	0.001	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4874	0.017	5	109.4817	0.001	14	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){2|C<2>,2|C<3>}	H(CN[5]HH)	109.4786	0.027	9	109.4817	0.001	14	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|F<1>}	H(CN[5]HH)	109.4963	0.062	3	109.4790	0.046	6	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4617	0.334	3	109.4790	0.046	6	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){2|C<3>}	H(CN[5]HH)	109.3877	2.267	3	109.3877	5.139	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3){1|Fe<10>,2|C<4>,4|H<1>}	H(CN[5]HH)	110.1285	1.846	15	110.1285	3.409	15	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3){4|H<1>}	H(CN[5]HH)	109.4937	0.030	3	109.4937	0.001	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3){1|Se<2>,1|O<1>}	H(CN[5]HH)	109.5123	0.038	3	109.5123	0.001	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	H(CN[5]HH)	109.4672	0.029	21	109.4672	0.001	21	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3){1|C<4>,1|O<1>}	H(CN[5]HH)	109.4625	0.012	2	109.4625	0.000	2	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)2(CH3){1|O<2>,3|H<1>}	H(CN[5]HH)	109.4830	0.010	3	109.4830	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CN[5]HH)	109.6947	0.895	3	109.5372	0.191	10	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){2|C<3>,4|H<1>}	H(CN[5]HH)	109.4697	0.032	7	109.5372	0.191	10	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3){4|H<1>}	H(CN[5]HH)	109.4600	0.018	3	109.4600	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	110.3527	2.721	3	110.3527	7.403	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3){1|C<4>,1|H<1>}	H(CN[5]HH)	109.4771	0.023	8	109.4771	0.001	8	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)2(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]HH)	109.4593	0.016	3	109.4593	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CN[5]HH)	109.4620	0.044	8	109.4596	0.002	14	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(CN[5]HH)	109.4710	0.040	2	109.4596	0.002	14	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[5]HH)	109.4490	0.047	4	109.4596	0.002	14	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4520	0.014	2	109.4520	0.000	2	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]HH)	109.4817	0.035	3	109.4817	0.001	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3){2|C<2>,4|C<3>}	H(CN[5]HH)	109.4578	0.088	8	109.4578	0.008	8	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CN[5]HH)	109.4705	0.011	2	109.4678	0.000	5	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,2|O<2>}	H(CN[5]HH)	109.4660	0.013	3	109.4678	0.000	5	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CN[5]HH)	109.3480	0.160	6	109.3480	0.026	6	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	H(CN[5]HH)	109.4703	0.041	3	109.4703	0.002	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4660	0.020	2	109.4660	0.000	2	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3){1|Mg<6>,2|C<3>,3|H<1>}	H(CN[5]HH)	109.4920	0.009	3	109.4920	0.000	3	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	H(CN[5]HH)	109.4674	0.029	21	109.4665	0.001	24	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	H(CN[5]HH)	109.4597	0.039	3	109.4665	0.001	24	109.5292	0.409	205	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5,5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	H(CN[5]HH)	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	H(CN[5]HH)	109.4635	0.026	2	109.4635	0.001	2	109.4635	0.001	2	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	H(CN[5]HH)	109.4724	0.022	11	109.4724	0.000	11	109.4821	0.001	17	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4790	0.023	3	109.4790	0.001	3	109.4821	0.001	17	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3){2|H<1>}	H(CN[5]HH)	109.5207	0.028	3	109.5207	0.001	3	109.4821	0.001	17	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3){4|C<3>}	H(CN[5]HH)	109.4570	0.004	2	109.4570	0.000	2	109.4654	0.000	5	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3)	H(CN[5]HH)	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3){2|C<3>,4|H<1>}	H(CN[5]HH)	109.4710	0.017	3	109.4710	0.000	3	109.4654	0.000	5	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[3,5]-4:C[5]-4:C-4:	C-4:	C(N[5]P[3,5]C[5])(H)3	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3)	H(CN[5]HH)	C(N[5]P[3,5]C[5])(H)3	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	H(CN[5]HH)	109.4920	0.039	3	109.4920	0.001	3	109.4920	0.001	3	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	H(CN[5]HH)	109.4638	0.046	5	109.4638	0.002	5	109.4664	0.001	28	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	H(CN[5]HH)	109.4670	0.031	23	109.4670	0.001	23	109.4664	0.001	28	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	H(CN[5]HH)	109.4743	0.026	7	109.4743	0.001	7	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4650	0.000	1	109.4650	0.000	1	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]HH)	109.4668	0.077	16	109.4668	0.006	16	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4744	0.049	10	109.4744	0.002	10	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4798	0.037	17	109.4798	0.001	17	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4727	0.027	6	109.4727	0.001	6	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	4:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CN[5]HH)	109.4651	0.051	15	109.4651	0.003	15	109.4718	0.003	72	109.5083	0.195	1046	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:1:1:1:	5:4:4:	4:	N[5]-3:H-1:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C-4:	C(N[5]P[3x5]C[5])(H)3	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3)	H(CN[5]HH)	C(N[5]P[3x5]C[5])(H)3	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3){2|H<1>,6|C<4>}	H(CN[5]HH)	109.4529	0.037	8	109.4529	0.001	8	109.4529	0.001	8	109.4529	0.001	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:2:1:1:	4:4:4:	4:	N[5]-3:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(CN[5]CH)	108.3193	0.223	3	108.3193	0.050	3	108.3193	0.050	3	108.3193	0.050	3	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	109.8240	0.044	2	109.8240	0.002	2	109.8240	0.002	2	109.4868	0.587	13	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCC)(H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	109.4868	0.587	13	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	H(CC[6a]N[5]H)	108.5645	0.012	2	108.5645	0.000	2	108.5645	0.000	2	109.4868	0.587	13	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]N)(CC[6a]HH){1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.2545	0.008	2	108.2545	0.000	2	108.2545	0.000	2	109.4868	0.587	13	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.9628	0.147	6	109.9628	0.022	6	109.9628	0.022	6	109.4868	0.587	13	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	H(CN[5]CH)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.6540	0.265	3	108.6540	0.070	3	108.9552	1.813	5	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4070	2.536	2	109.4070	6.430	2	108.9552	1.813	5	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	H(CC[6a]N[5]H)	108.7530	0.033	2	108.2850	0.166	6	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(CC[6a]N[5]H)	107.8465	0.046	2	108.2850	0.166	6	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.2555	0.025	2	108.2850	0.166	6	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(CC[6a]N[5]H)	108.5170	0.058	2	108.4990	0.055	10	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	H(CC[6a]N[5]H)	108.4417	0.387	4	108.4990	0.055	10	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.5473	0.074	4	108.4990	0.055	10	108.4188	0.099	16	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	H(CC[6a]N[5]H)	108.6543	0.125	6	108.6543	0.016	6	108.7502	0.925	10	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	H(CC[6a]N[5]H)	108.8940	1.644	4	108.8940	2.703	4	108.7502	0.925	10	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2065	0.008	2	109.2065	0.000	2	109.0697	0.024	8	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(CC[6a]N[5]H)	108.9575	0.018	2	108.9575	0.000	2	109.0697	0.024	8	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	108.9015	0.066	2	108.9015	0.004	2	109.0697	0.024	8	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.2135	0.008	2	109.2135	0.000	2	109.0697	0.024	8	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	H(CN[5]2H)	108.5685	0.039	2	108.5685	0.002	2	108.5685	0.002	2	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	H(CN[5a]N[5]H)	108.3645	0.046	2	108.3645	0.002	2	108.7313	0.405	3	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5a]N[5]H)	109.4650	0.000	1	109.4650	0.000	1	108.7313	0.405	3	108.7180	0.480	46	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:	C-4:	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CN[5]CH)	108.7825	0.012	2	108.7825	0.000	2	108.7825	0.000	2	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(COO)(H)2	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]O[5])(COO)(H)2	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH){1|S<4>,2|C<3>,3|H<1>}	H(CN[5]CH)	109.4020	0.033	2	109.4020	0.001	2	109.4020	0.001	2	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.0310	0.031	2	108.0310	0.001	2	108.0310	0.001	2	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.6970	0.045	2	108.6970	0.002	2	108.6970	0.002	2	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0530	0.000	1	109.0530	0.000	1	109.2700	5.637	6	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.4065	5.294	2	109.4065	28.028	2	109.2700	5.637	6	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:2:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	109.2513	0.190	3	109.2513	0.036	3	109.2700	5.637	6	108.9604	2.391	14	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.4835	0.019	2	108.3560	0.022	4	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.2285	0.019	2	108.3560	0.022	4	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH){6|C<3>}	H(CC[6a]N[5]H)	108.2265	0.006	2	108.2265	0.000	2	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.8285	0.015	2	108.8285	0.000	2	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	108.8230	0.007	2	108.8230	0.000	2	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.6330	0.010	2	108.6330	0.000	2	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9977	0.031	3	108.9977	0.001	3	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2680	0.030	2	109.2680	0.001	2	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,5|C<3>}	H(CC[6a]N[5]H)	109.1135	0.212	8	109.1135	0.045	8	108.8353	0.133	25	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	109.1010	0.031	2	109.1010	0.001	2	109.1010	0.001	2	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(CC[6a]N[5]H)	108.5420	0.016	2	108.5420	0.000	2	108.5420	0.000	2	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]N[5]H)	108.6025	0.005	2	108.6025	0.000	2	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.2173	0.110	4	109.2173	0.012	4	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CC[6a]N[5]H)	108.4310	0.072	2	108.5775	0.053	6	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	H(CC[6a]N[5]H)	108.6508	0.256	4	108.5775	0.053	6	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	108.5850	0.155	9	108.6941	0.118	28	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	108.7457	0.397	19	108.6941	0.118	28	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]N[5]H)	108.4838	0.342	4	108.4838	0.117	4	108.7025	0.121	44	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	106.7055	0.367	2	106.7055	0.135	2	106.7055	0.135	2	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.7490	0.000	1	108.7490	0.000	1	108.9673	0.036	3	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]N[5]H)	109.0765	0.022	2	109.0765	0.000	2	108.9673	0.036	3	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,3|N<3>}	H(CC[6a]N[5]H)	109.4275	0.033	2	109.4275	0.001	2	108.8505	0.123	15	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|O<2>,4|H<1>}	H(CC[6a]N[5]H)	109.1480	0.013	2	109.1480	0.000	2	108.8505	0.123	15	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.5633	0.157	7	108.5633	0.025	7	108.8505	0.123	15	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7345	0.013	2	108.7345	0.000	2	108.8505	0.123	15	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]N[5]H)	109.0975	0.011	2	109.0975	0.000	2	108.8505	0.123	15	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:P[5]-3:C-4:	C-4:	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH){3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.6525	0.195	4	108.6525	0.038	4	108.6525	0.038	4	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|H<1>}	H(CC[6a]N[5]H)	109.4267	0.073	4	109.4267	0.005	4	109.4267	0.005	4	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	H(CN[5]2H)	108.8830	0.000	1	108.8830	0.000	1	108.9272	0.051	102	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2H)	108.9277	0.226	101	108.9277	0.051	101	108.9272	0.051	102	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	H(CN[5]2H)	108.8888	0.491	30	108.8888	0.241	30	108.8888	0.241	30	108.8485	0.152	233	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5]){2|O<2>,3|C<4>,5|H<1>}	H(CC[6a]N[5]H)	109.3470	0.023	2	109.3470	0.001	2	109.1082	0.068	6	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	108.7870	0.048	2	108.9887	0.056	4	109.1082	0.068	6	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){3|C<3>,4|H<1>}	H(CC[6a]N[5]H)	109.1905	0.045	2	108.9887	0.056	4	109.1082	0.068	6	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	109.1984	0.235	5	109.1984	0.055	5	109.1984	0.055	5	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	109.1742	0.341	6	109.2544	0.105	8	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.4950	0.013	2	109.2544	0.105	8	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[5]H)	109.5455	0.085	4	109.4413	0.030	6	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.2330	0.006	2	109.4413	0.030	6	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3664	0.227	11	109.3015	0.125	19	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	H(CC[6a]N[5]H)	108.9720	0.016	2	109.3015	0.125	19	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0915	0.464	4	109.3015	0.125	19	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	H(CC[6a]N[5]H)	109.6940	0.585	2	109.3015	0.125	19	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:	C-4:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[6a]N[5]H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|N<3>,2|C<3>}	H(CC[6a]N[5]H)	109.0530	0.000	1	109.0530	0.000	1	109.3078	0.101	34	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:2:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	H(CN[5a]N[5]H)	108.5790	0.025	2	108.5790	0.001	2	108.5790	0.001	2	109.2396	0.110	47	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH){2|H<1>,4|C<3>}	H(CC[5a]N[5]H)	110.5165	0.039	2	110.5165	0.002	2	109.5099	0.493	13	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	H(CC[5a]N[5]H)	109.4901	0.648	7	109.4901	0.420	7	109.5099	0.493	13	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(CC[5a]N[5]H)	109.3845	0.012	2	109.3845	0.000	2	109.5099	0.493	13	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH)	H(CC[5a]N[5]H)	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	H(CC[5a]N[5]H)	108.6980	0.126	2	108.6980	0.016	2	109.5099	0.493	13	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	H(CC[6]N[5]H)	109.3550	0.013	2	109.3550	0.000	2	109.3550	0.000	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	H(CC[6a]N[5]H)	109.1650	0.099	4	109.1650	0.010	4	109.1650	0.010	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH){4|H<1>,6|C<4>}	H(CC[6a]N[5]H)	108.7461	0.326	8	108.7461	0.107	8	108.7461	0.107	8	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.1595	0.047	2	109.1595	0.002	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.5265	0.053	2	109.5265	0.003	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	H(CC[6a]N[5]H)	109.0760	0.038	2	109.0760	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]N[5]H)	110.9695	1.904	2	110.9695	3.626	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.2945	0.359	4	108.2945	0.129	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	109.0572	0.251	4	109.0572	0.063	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0705	0.032	2	109.0705	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7130	0.049	2	108.7130	0.002	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(CC[6a]N[5]H)	108.4110	0.040	2	108.8711	2.702	8	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	H(CC[6a]N[5]H)	109.0245	1.916	6	108.8711	2.702	8	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	H(CC[6a]N[5]H)	109.2170	0.017	2	109.2170	0.000	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.5870	0.000	1	108.5870	0.000	1	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]HH){2|N<2>}	H(CC[6a]N[5]H)	109.3807	0.086	6	109.3807	0.007	6	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[6a]N[5]H)	109.1595	0.025	2	109.2065	0.148	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(CC[6a]N[5]H)	108.5155	0.006	2	109.2065	0.148	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(CC[6a]N[5]H)	109.4830	0.016	2	109.2065	0.148	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,5|H<1>}	H(CC[6a]N[5]H)	109.0630	0.000	1	109.2065	0.148	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	H(CC[6a]N[5]H)	109.4732	0.149	4	109.2065	0.148	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.7595	2.026	2	108.8454	0.728	33	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]N[5]H)	108.5657	1.233	12	108.8454	0.728	33	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9575	0.033	2	108.8454	0.728	33	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.0396	0.232	17	108.8454	0.728	33	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,1|O<1>}	H(CC[6a]N[5]H)	109.2310	0.000	1	109.2310	0.000	1	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	109.5835	3.675	2	109.5835	13.504	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH){2|H<1>}	H(CC[6a]N[5]H)	108.7525	0.009	2	108.7525	0.000	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){1|O<2>,3|H<1>}	H(CC[6a]N[5]H)	109.8700	0.057	2	108.8678	0.356	12	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	108.4235	0.318	6	108.8678	0.356	12	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.0332	0.189	4	108.8678	0.356	12	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|S<3>}	H(CC[6a]N[5]H)	109.0598	0.350	4	109.2066	0.070	25	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|S<3>}	H(CC[6a]N[5]H)	109.3880	0.028	2	109.2066	0.070	25	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.2184	0.254	19	109.2066	0.070	25	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){1|C<3>,1|S<6>,2|H<1>}	H(CC[6a]N[5]H)	109.1315	0.021	2	108.8033	0.172	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	108.5501	0.270	7	108.8033	0.172	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){4|H<1>}	H(CC[6a]N[5]H)	109.3610	0.035	2	108.8033	0.172	11	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH){2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	H(CC[6a]N[5]H)	109.6455	1.421	2	109.6455	2.018	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|N<3>,3|H<1>}	H(CC[6a]N[5]H)	109.1337	0.037	3	109.1337	0.001	3	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[5]H)	109.3095	0.063	2	109.3805	0.110	6	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|I<1>,2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.4480	0.020	2	109.3805	0.110	6	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.3840	0.727	2	109.3805	0.110	6	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|O<1>,1|S<4>,4|C<3>}	H(CC[6a]N[5]H)	108.1500	0.000	1	108.7127	0.238	3	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|S<4>,2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	108.9940	0.031	2	108.7127	0.238	3	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[5]H)	109.3940	0.037	2	109.3940	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	H(CC[6a]N[5]H)	108.5335	0.008	2	108.5335	0.000	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.0379	0.240	8	109.0379	0.057	8	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){2|H<1>,6|C<3>}	H(CC[6a]N[5]H)	109.4295	1.258	2	109.1322	0.645	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){4|C<3>,4|H<1>}	H(CC[6a]N[5]H)	108.8350	0.016	2	109.1322	0.645	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	109.4870	0.025	2	109.4870	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4660	0.030	2	109.4660	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.0258	0.153	8	109.1178	0.056	10	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.4860	0.025	2	109.1178	0.056	10	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.2895	0.040	2	109.2895	0.002	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9140	0.117	4	108.9140	0.014	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[5]H)	109.1265	0.032	2	109.1265	0.001	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){2|H<1>,2|O<2>}	H(CC[6a]N[5]H)	109.0260	0.047	2	109.0260	0.002	2	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]H)	108.9112	0.056	4	108.9112	0.003	4	109.0535	0.492	192	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	H(CN[5]CH)	108.0015	0.013	2	108.0015	0.000	2	108.0015	0.000	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CN[5]CH)	108.8960	0.021	2	108.8960	0.000	2	108.8675	0.002	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	H(CN[5]CH)	108.8390	0.054	2	108.8390	0.003	2	108.8675	0.002	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	109.1075	0.016	2	109.0053	0.031	3	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CH)	108.8010	0.000	1	109.0053	0.031	3	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<4>}	H(CN[5]CH)	107.8845	0.028	2	107.8845	0.001	2	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	H(CN[5]CH)	108.8890	0.000	1	108.8890	0.000	1	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(CN[5]CH)	109.3355	0.008	2	109.3355	0.000	2	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(CN[5]CH)	108.6580	0.083	2	108.6580	0.007	2	108.7661	0.276	10	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	H(CN[5]CH)	109.0980	0.024	2	109.0980	0.001	2	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	108.6665	0.016	2	108.6665	0.000	2	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	H(CN[5]CH)	108.3045	0.022	2	108.3045	0.000	2	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	H(CN[5]CH)	109.1495	0.011	2	109.1495	0.000	2	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	H(CN[5]CH)	108.1900	0.141	5	108.1900	0.020	5	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(CN[5]CH)	108.0165	0.006	2	108.0355	0.001	4	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	H(CN[5]CH)	108.0545	0.036	2	108.0355	0.001	4	108.4429	0.191	17	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	H(CN[5]CH)	105.4200	4.545	2	105.4200	20.660	2	105.4200	20.660	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH){1|O<2>,2|C<4>,6|H<1>}	H(CC[6a]N[5]H)	109.2705	0.015	2	109.2705	0.000	2	109.1770	0.012	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,6|H<1>}	H(CC[6a]N[5]H)	109.0835	0.032	2	109.0835	0.001	2	109.1770	0.012	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[5]H)	108.2965	0.270	4	108.2965	0.073	4	108.2965	0.073	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.7860	0.000	1	108.7860	0.000	1	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]N[5]H)	109.2035	0.005	2	109.2035	0.000	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,4|H<1>}	H(CC[6a]N[5]H)	109.2945	0.013	2	109.2945	0.000	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.8495	0.021	2	108.8495	0.000	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[5]H)	108.9896	0.299	5	108.9896	0.089	5	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(CC[6a]N[5]H)	108.7690	4.681	2	108.7690	21.912	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.3860	0.482	4	109.3860	0.232	4	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	H(CC[6a]N[5]H)	109.1580	0.052	2	109.1580	0.003	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.9450	1.285	4	109.2675	0.721	10	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.3780	0.018	2	109.2675	0.721	10	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	H(CC[6a]N[5]H)	109.0855	0.005	2	109.2675	0.721	10	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[5]H)	109.9840	0.006	2	109.2675	0.721	10	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]N[5]H)	109.0505	0.009	2	109.0505	0.000	2	109.1438	0.988	32	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH){1|C<3>,5|C<4>}	H(CC[6a]N[5]H)	108.8730	0.048	2	108.8730	0.002	2	108.8730	0.002	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]N[5]H)	108.7080	0.025	2	108.7080	0.001	2	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH){2|C<4>,5|H<1>}	H(CC[6a]N[5]H)	109.2265	0.012	2	109.2265	0.000	2	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[6a]N[5]H)	109.1550	0.021	2	108.7187	0.191	10	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	H(CC[6a]N[5]H)	108.6096	0.421	8	108.7187	0.191	10	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,4|H<1>}	H(CC[6a]N[5]H)	109.8170	1.894	2	109.8170	3.586	2	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	H(CC[6a]N[5]H)	109.2520	0.020	2	109.2520	0.000	2	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH){3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.4376	0.087	28	109.4376	0.008	28	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]N[5]H)	108.8222	0.171	4	108.8222	0.029	4	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]N[5]H)	109.1865	0.155	4	109.1865	0.024	4	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH){1|C<2>,2|C<4>,7|H<1>}	H(CC[6a]N[5]H)	109.4090	0.000	1	109.4090	0.000	1	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]N[5]H)	109.2790	0.023	2	109.2790	0.001	2	109.2184	0.204	57	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH){3|C<4>,3|H<1>}	H(CC[6a]N[5]H)	108.8700	0.533	4	108.8700	0.284	4	108.8700	0.284	4	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[5]H)	108.3627	0.257	10	108.3627	0.066	10	108.4211	0.097	11	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH){1|C<3>,1|C<4>}	H(CC[6a]N[5]H)	109.0050	0.000	1	109.0050	0.000	1	108.4211	0.097	11	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.3367	0.069	4	109.3367	0.005	4	109.4865	0.301	22	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.4695	0.026	2	109.4695	0.001	2	109.4865	0.301	22	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	H(CC[6a]N[5]H)	109.2700	0.220	10	109.2700	0.048	10	109.4865	0.301	22	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	109.4295	0.179	4	109.4295	0.032	4	109.4865	0.301	22	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[5]H)	110.9990	0.786	2	110.9990	0.618	2	109.4865	0.301	22	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:C[6a]-3:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	H(CC[6a]N[5]H)	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[6a]N[5]H)	109.0840	0.083	2	109.0840	0.007	2	109.0840	0.007	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	H(CN[5]2H)	108.9838	0.210	11	108.9838	0.044	11	108.9411	0.037	15	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2H)	108.8235	0.040	4	108.8235	0.002	4	108.9411	0.037	15	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	H(CN[5]2H)	109.7690	0.052	4	109.7690	0.003	4	109.2278	0.704	6	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)2(CN[5]HH)	H(CN[5]2H)	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)2(CN[5]HH){4|H<1>}	H(CN[5]2H)	108.1455	0.005	2	108.1455	0.000	2	109.2278	0.704	6	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	H(CN[5a]N[5]H)	108.2427	0.219	3	108.2427	0.048	3	108.2427	0.048	3	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	H(CN[5a]N[5]H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	H(CN[5a]N[5]H)	109.4730	0.006	2	109.4730	0.000	2	109.4730	0.000	2	109.0301	0.567	418	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:2:1:	3:4:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	H(CC[6a]N[5]C)	107.5950	0.298	2	107.5950	0.089	2	107.5950	0.089	2	107.5950	0.089	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:2:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	H(CC[6a]N[5]C)	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.9340	3.501	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:2:1:	4:3:4:	4:	N[5]-3:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	H(CC[6a]N[5]O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	H(CC[6a]N[5]O)	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	108.9340	3.501	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	106.8375	0.228	2	106.8375	0.052	2	106.8375	0.052	2	106.8375	0.052	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	3:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	H(CC[6a]N[5]C)	105.6790	0.000	1	105.6790	0.000	1	105.6790	0.000	1	108.2531	1.158	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|C<3>}	H(CC[6a]2N[5])	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.2531	1.158	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	H(CC[6a]2N[5])	108.7258	0.258	4	108.7258	0.067	4	108.7532	0.054	5	108.2531	1.158	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]2N[5])	108.8630	0.000	1	108.8630	0.000	1	108.7532	0.054	5	108.2531	1.158	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:3:4:	4:	N[5]-3:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	H(CC[6a]N[5]N)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	H(CC[6a]N[5]N)	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.2531	1.158	8	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	107.6655	0.173	4	107.6655	0.030	4	108.6634	2.627	7	108.4482	2.161	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H){2|C<3>,4|H<1>}	H(CC[6a]2N[5])	108.0100	0.000	1	108.0100	0.000	1	108.6634	2.627	7	108.4482	2.161	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H)	H(CC[6a]2N[5])	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H){4|H<1>}	H(CC[6a]2N[5])	110.9860	0.687	2	110.9860	0.472	2	108.6634	2.627	7	108.4482	2.161	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:3:1:	4:4:4:	4:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	H(CC[6a]2N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2N[5])	107.6950	0.263	2	107.6950	0.069	2	107.6950	0.069	2	108.4482	2.161	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	3:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH){1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]N[5]C)	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	106.2905	0.296	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	3:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[5]C)	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	106.2905	0.296	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	H(CC[6]N[5]C)	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	H(CC[6a]N[5]C)	108.3317	1.408	3	108.3317	1.982	3	107.0734	4.013	5	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	H(CC[6a]N[5]C)	105.5140	0.000	1	105.5140	0.000	1	107.0734	4.013	5	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	H(CC[6a]N[5]C)	104.8580	0.000	1	104.8580	0.000	1	107.0734	4.013	5	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:3:4:	4:	N[5]-3:C[6a]-3:P-4:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	H(CC[6a]N[5]P)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	H(CC[6a]N[5]P)	106.4490	0.802	2	106.4490	0.643	2	106.4490	0.643	2	106.9683	2.960	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	106.1680	0.000	1	106.1680	0.000	1	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	H(CC[6a]N[5]C)	109.0600	0.000	1	109.0600	0.000	1	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){1|C<3>,1|N<2>,2|C<4>}	H(CC[6a]N[5]C)	106.4740	0.000	1	106.8495	0.282	2	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	H(CC[6a]N[5]C)	107.2250	0.000	1	106.8495	0.282	2	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)2(CC[6a]CH){2|S<2>}	H(CC[6a]N[5]C)	109.1535	0.016	2	109.1535	0.000	2	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]N[5]C)	106.8740	0.000	1	106.8740	0.000	1	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){2|C<3>}	H(CC[6a]N[5]C)	108.2320	0.310	2	108.2320	0.096	2	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	H(CC[6a]N[5]C)	106.2715	0.578	2	106.2715	0.334	2	107.5559	1.568	11	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH)	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[5]C)	104.4910	0.772	2	104.4910	0.596	2	104.4910	0.596	2	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[5]-3:P-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	H(CC[6a]N[5]P)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	H(CC[6a]N[5]P)	105.4480	0.000	1	105.4480	0.000	1	105.4480	0.000	1	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH){1|C<3>,2|O<2>,4|H<1>}	H(CC[6a]N[5]C)	106.6800	0.000	1	106.6800	0.000	1	106.5220	0.050	2	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	H(CC[6a]N[5]C)	106.3640	0.000	1	106.3640	0.000	1	106.5220	0.050	2	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:3:4:1:	4:4:4:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]N[5]C)	106.3700	0.655	2	106.3700	0.429	2	106.3700	0.429	2	106.8516	2.118	18	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CN[5]CH)	108.5170	0.000	1	108.5170	0.000	1	109.1303	0.283	3	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	H(CN[5]CH)	109.4370	0.040	2	109.4370	0.002	2	109.1303	0.283	3	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.3340	0.000	1	109.3340	0.000	1	110.4649	2.899	7	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	H(CN[5]CH)	114.2910	0.000	1	114.2910	0.000	1	110.4649	2.899	7	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	109.8890	0.000	1	109.8890	0.000	1	110.4649	2.899	7	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	109.8645	0.042	2	109.8645	0.002	2	110.4649	2.899	7	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	H(CN[5]CH)	110.0055	0.008	2	110.0055	0.000	2	110.4649	2.899	7	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	H(CN[5]CH)	108.5090	0.068	2	108.5090	0.005	2	108.5090	0.005	2	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(CC[5]N[5]H)	107.5145	0.491	2	107.5145	0.242	2	108.6424	1.955	8	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:3:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]N[5]H)	109.0183	1.418	6	109.0183	2.010	6	108.6424	1.955	8	109.3401	2.416	20	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CHOO)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHOO)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	H(CN[5]CH)	109.2255	0.006	2	109.2255	0.000	2	109.2255	0.000	2	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CN[5]CH)	109.1830	0.020	3	109.1830	0.000	3	109.1830	0.000	3	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CN[5]CH)	108.7765	0.005	2	108.7765	0.000	2	108.5645	0.060	4	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CH)	108.3525	0.016	2	108.3525	0.000	2	108.5645	0.060	4	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.1932	0.304	6	109.1932	0.092	6	109.2499	0.079	10	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	H(CN[5]CH)	109.1130	0.014	2	109.1130	0.000	2	109.2499	0.079	10	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.5570	0.006	2	109.5570	0.000	2	109.2499	0.079	10	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(CN[5]CH)	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[5]CH)	107.9305	0.013	2	107.9305	0.000	2	107.9305	0.000	2	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]N[5]H)	108.7350	0.089	2	108.7350	0.008	2	108.7350	0.008	2	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]N[5]H)	108.9610	2.629	2	108.9610	6.912	2	108.9610	6.912	2	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Ge[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Ge[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	108.8320	0.017	4	108.8320	0.000	4	108.8320	0.000	4	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Co)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	110.3439	0.285	13	110.3439	0.081	13	110.0356	0.763	23	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PC[6a]2Rh)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]HP)	109.6733	1.595	6	109.6733	2.545	6	110.0356	0.763	23	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	3:4:4:	4:	N[5]-3:P-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]Si[5])(PRhCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	H(CN[5]HP)	109.5770	0.275	4	109.5770	0.075	4	110.0356	0.763	23	109.4196	0.848	53	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(CN[5]CH)	109.5267	0.073	3	109.5267	0.005	3	108.4764	2.071	5	108.4764	2.071	5	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:2:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CN[5]CH)	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	H(CN[5]CH)	106.9010	0.011	2	106.9010	0.000	2	108.4764	2.071	5	108.4764	2.071	5	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[5]CH)	109.2015	0.012	2	109.2015	0.000	2	108.8870	0.132	4	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[5]CH)	108.5725	0.025	2	108.5725	0.001	2	108.8870	0.132	4	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[5]CH)	109.2810	0.000	1	109.0327	0.046	4	109.0327	0.046	4	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(CN[5]CH)	108.9500	0.165	3	109.0327	0.046	4	109.0327	0.046	4	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	H(CN[5]CH)	109.6930	0.016	2	109.6930	0.000	2	110.0120	0.620	8	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	110.7002	0.042	4	110.7002	0.002	4	110.0120	0.620	8	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[5]CH)	108.9545	0.023	2	108.9545	0.001	2	110.0120	0.620	8	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	H(CN[5]CH)	109.5185	0.013	2	109.5185	0.000	2	109.4128	0.012	6	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	H(CN[5]CH)	109.3600	0.096	4	109.3600	0.009	4	109.4128	0.012	6	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	H(CN[5]CH)	110.7370	0.006	2	110.7370	0.000	2	110.7370	0.000	2	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:3:4:	4:	N[5]-3:C-4:H-1:H-1:	N[5,5]-4:C[5]-3:C-4:	C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	H(CN[5]CH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH){1|C<4>,2|O<2>,3|C<3>}	H(CN[5]CH)	108.2475	0.012	2	108.2475	0.000	2	108.2475	0.000	2	109.4700	0.625	26	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	H(CN[5]CH)	109.3965	0.016	2	109.3965	0.000	2	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(CN[5]CH)	107.8948	0.121	6	107.8948	0.015	6	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(CN[5]CH)	108.5087	0.188	6	108.5087	0.035	6	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,7|H<1>}	H(CN[5]CH)	109.3565	0.011	2	108.9968	0.056	8	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,7|H<1>}	H(CN[5]CH)	108.8075	0.005	2	108.9968	0.056	8	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,6|H<1>}	H(CN[5]CH)	108.9115	0.104	4	108.9968	0.056	8	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(CN[5]CH)	109.2150	0.004	2	109.2150	0.000	2	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(CN[5]CH)	109.2163	1.494	18	109.2163	2.233	18	108.8931	1.174	42	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH){1|N<2>,2|H<1>,3|C<4>}	H(CN[5]CH)	108.3290	2.281	2	108.3290	5.204	2	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(CN[5]CH)	109.0335	0.074	6	109.0335	0.005	6	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|S<4>,2|H<1>,4|C<4>}	H(CN[5]CH)	108.9700	0.054	2	108.3765	2.081	4	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){3|C<4>,4|H<1>}	H(CN[5]CH)	107.7830	2.198	2	108.3765	2.081	4	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH){3|C<4>,3|H<1>}	H(CN[5]CH)	108.8655	0.035	2	108.8655	0.001	2	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(CN[5]CH)	108.2810	0.000	1	108.2810	0.000	1	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,6|H<1>}	H(CN[5]CH)	108.2990	0.000	1	107.9873	0.074	3	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,8|H<1>}	H(CN[5]CH)	107.8315	0.037	2	107.9873	0.074	3	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	H(CN[5]CH)	107.4847	0.085	4	107.4847	0.007	4	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|W<7>,2|C<4>,4|H<1>}	H(CN[5]CH)	109.2210	0.016	2	109.2210	0.000	2	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(CN[5]CH)	108.0630	0.068	3	108.0630	0.005	3	108.4040	0.772	27	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	H(CN[5]CH)	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	H(CN[5]CH)	108.3325	0.467	2	108.3325	0.218	2	108.3325	0.218	2	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(CN[5]CH)	109.4140	0.926	2	109.4140	0.858	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	H(CN[5]CH)	110.4200	0.098	2	110.4200	0.010	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	H(CN[5]CH)	108.9415	0.025	2	108.9415	0.001	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CN[5]CH)	108.8960	0.205	2	108.8960	0.042	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|O<2>,3|H<1>}	H(CN[5]CH)	109.4700	0.000	1	109.4700	0.000	1	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH){1|C<3>,1|O<1>}	H(CN[5]CH)	107.4645	0.029	2	107.4645	0.001	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH){1|C<3>,1|O<1>}	H(CN[5]CH)	107.4175	0.507	2	107.4175	0.257	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	H(CN[5]CH)	108.9775	0.059	2	108.9775	0.003	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CN[5]CH)	107.7870	0.023	2	107.7870	0.001	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	H(CN[5]CH)	109.0740	0.040	2	109.0740	0.002	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	H(CN[5]CH)	110.2540	0.018	2	110.2540	0.000	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	H(CN[5]CH)	107.6345	0.012	2	107.6345	0.000	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	H(CN[5]CH)	108.8180	0.097	5	108.8180	0.009	5	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	H(CN[5]CH)	107.5520	0.018	2	107.5520	0.000	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	107.8690	0.660	7	107.8690	0.435	7	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]CH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]CH)2(CCHH){4|H<1>}	H(CN[5]CH)	109.2350	0.062	2	109.2350	0.004	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	109.1140	0.028	2	109.1140	0.001	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	H(CN[5]CH)	109.2319	1.660	8	109.2319	2.755	8	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(CN[5]CH)	109.1763	0.025	3	109.1763	0.001	3	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<3>,1|N<2>,3|H<1>}	H(CN[5]CH)	109.1993	0.174	4	109.2199	0.027	7	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	109.2473	0.181	3	109.2199	0.027	7	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CH)	109.2320	0.048	7	109.1579	0.014	16	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	H(CN[5]CH)	109.1002	0.127	9	109.1579	0.014	16	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	H(CN[5]CH)	108.8440	0.054	2	108.8440	0.003	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	H(CN[5]CH)	109.7475	0.016	2	109.7475	0.000	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH)	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	H(CN[5]CH)	108.6600	0.062	2	108.6600	0.004	2	108.8884	0.785	81	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CCHH)(H)2	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CCHH)(H)2	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH){2|H<1>,6|C<3>}	H(CN[5]CH)	109.1625	0.224	2	109.1625	0.050	2	109.1255	0.021	4	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CH3)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH){1|C<4>,2|H<1>}	H(CN[5]CH)	109.0885	0.088	2	109.0885	0.008	2	109.1255	0.021	4	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	H(CN[5]CH)	108.1440	5.848	2	108.1440	34.196	2	108.6767	2.211	17	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(CN[5]CH)	108.6947	0.212	7	108.6947	0.045	7	108.6767	2.211	17	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(CN[5]CH)	108.8025	0.122	2	108.8025	0.015	2	108.6767	2.211	17	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CH3)(H)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CH3)(H)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(CN[5]CH)	109.0435	0.023	2	109.0435	0.001	2	108.6767	2.211	17	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5]S[5])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	H(CN[5]CH)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	H(CN[5]CH)	108.6653	0.084	4	108.6653	0.007	4	108.6767	2.211	17	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(CClHH)(H)2	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CClHH)(H)2	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH){2|C<4>,2|H<1>}	H(CN[5]CH)	108.9155	0.008	2	108.9155	0.000	2	108.5203	0.840	12	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	H(CN[5]CH)	108.4413	0.993	10	108.4413	0.985	10	108.5203	0.840	12	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CHHN)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]C[5]P[5])(CHHN)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<3>}	H(CN[5]CH)	109.2920	0.014	2	109.2920	0.000	2	109.2920	0.000	2	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH){1|C<4>,2|H<1>}	H(CC[5]N[5]H)	109.2740	0.013	2	109.2740	0.000	2	109.2740	0.000	2	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	H(CC[5]N[5]H)	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[5]N[5]H)	109.1540	0.129	4	109.1540	0.017	4	109.1540	0.017	4	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	H(CC[6]N[5]H)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	H(CC[6]N[5]H)	108.7935	0.025	2	108.7935	0.001	2	108.7935	0.001	2	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	4:4:4:	4:	N[5]-3:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(NNiCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN)	H(CN[5]HN)	C(N[5]C[5]2)(NNiCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN){1|Ni<4>,1|C<4>,2|H<1>}	H(CN[5]HN)	108.5187	0.046	4	108.5187	0.002	4	108.5187	0.002	4	108.7875	0.934	199	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	5:3:4:	4:	N[5]-3:P-4:H-1:H-1:	In[3x5]-5:C[5,6a]-3:C-4:	C-4:	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP)	H(CN[5]HP)	C(N[5]C[5,6a]In[3x5])(PNiCC)(H)2	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP){1|H<1>,2|C<4>,6|C<3>}	H(CN[5]HP)	109.5480	0.116	2	109.5480	0.013	2	109.5480	0.013	2	109.5480	0.013	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:1:1:	5:4:4:	4:	N[5]-3:C-4:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(CN[5]CH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	H(CN[5]CH)	108.7120	0.090	4	108.7120	0.008	4	108.7120	0.008	4	108.7120	0.008	4	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:3:1:	3:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	H(CN[5]CC)	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:3:1:	4:3:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	H(CN[5]CC)	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]HH)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	H(CN[5]CC)	105.7680	1.078	2	105.7680	1.161	2	106.3023	0.747	6	106.3023	0.747	6	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	H(CN[5]CC)	106.2740	0.000	1	106.2740	0.000	1	106.3023	0.747	6	106.3023	0.747	6	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:3:1:	4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	H(CN[5]CC)	106.6680	0.894	3	106.6680	0.799	3	106.3023	0.747	6	106.3023	0.747	6	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	B[5]-3:N[5]-3:C-4:	C-4:	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	H(CN[5]CC)	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	105.8637	1.042	6	105.8637	1.085	6	105.8637	1.085	6	106.3426	1.278	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	H(CN[5]CC)	107.7020	0.000	1	107.7020	0.000	1	107.3003	0.338	3	106.3426	1.278	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	H(CN[5]CC)	107.5650	0.000	1	107.5650	0.000	1	107.3003	0.338	3	106.3426	1.278	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	H(CN[5]CC)	106.6340	0.000	1	106.6340	0.000	1	107.3003	0.338	3	106.3426	1.278	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	H(CN[5]CC)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(CN[5]CC)	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	107.1603	0.150	7	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(CN[5]CC)	107.4235	0.248	4	107.4235	0.061	4	107.2542	0.106	6	107.1603	0.150	7	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	3:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CC)	106.9155	0.026	2	106.9155	0.001	2	107.2542	0.106	6	107.1603	0.150	7	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	B[5]-4:N[5]-3:C-4:	C-4:	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH)	H(CN[5]CC)	C(N[5]B[5]N[5])(CH3)2(H)	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	H(CN[5]CC)	104.9222	2.396	4	104.9222	5.741	4	104.9222	5.741	4	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH){1|C<4>,1|H<1>,4|C<3>}	H(CN[5]CC)	106.0700	0.000	1	106.0700	0.000	1	105.6778	2.362	4	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(CN[5]CC)	105.7100	0.000	1	105.7100	0.000	1	105.6778	2.362	4	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH){2|C<3>}	H(CN[5]CC)	107.3150	0.000	1	107.3150	0.000	1	105.6778	2.362	4	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	H(CN[5]CC)	103.6160	0.000	1	103.6160	0.000	1	105.6778	2.362	4	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:S[5]-3:C-4:	C-4:	C(N[5]C[5]S[5])(CH3)2(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	H(CN[5]CC)	C(N[5]C[5]S[5])(CH3)2(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	H(CN[5]CC)	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	105.4539	3.395	9	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,5]-4:S[5]-4:C-4:	C-4:	C(N[5]C[5,5]S[5])(CH3)2(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH)	H(CN[5]CC)	C(N[5]C[5,5]S[5])(CH3)2(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH){3|C<3>,3|H<1>}	H(CN[5]CC)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	H(CN[5]CC)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH){1|C<3>,3|H<1>,4|C<4>}	H(CN[5]CC)	106.5520	0.027	2	106.5520	0.001	2	106.1470	0.942	8	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5,6]-4:P[5]-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	H(CN[5]CC)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	H(CN[5]CC)	106.0120	1.109	6	106.0120	1.231	6	106.1470	0.942	8	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(CN[5]CC)	107.1560	0.000	1	107.1560	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	N[5](C[5]C[5]HH)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	H(CN[5]CC)	107.5550	0.175	2	107.5550	0.031	2	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	N[5](C[5]C[5]HH)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	H(CN[5]CC)	107.7490	0.000	1	107.7490	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	H(CN[5]CC)	106.7590	0.000	1	106.7590	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	H(CN[5]CC)	106.0600	0.000	1	106.0600	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	H(CN[5]CC)	108.6685	0.032	2	108.6685	0.001	2	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	H(CN[5]CC)	107.8460	0.000	1	107.8460	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)2(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	H(CN[5]CC)	105.7190	0.000	1	105.7190	0.000	1	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	H(CN[5]CC)	108.7345	0.161	2	108.7345	0.026	2	107.6004	1.074	12	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	107.2480	0.134	2	107.2333	0.010	3	107.2333	0.010	3	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5,5]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	107.2040	0.000	1	107.2333	0.010	3	107.2333	0.010	3	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5,6]-4:C[5]-4:C-4:	C-4:	C(N[5]P[5,6]C[5])(CH3)2(H)	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]P[5,6]C[5])(CH3)2(H)	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH){1|Ge<2>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(CN[5]CC)	107.7440	0.297	2	107.7440	0.088	2	107.7440	0.088	2	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(CN[5]CC)	107.8187	0.230	4	107.8187	0.053	4	107.5783	0.171	6	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]CC)	107.0975	0.069	2	107.0975	0.005	2	107.5783	0.171	6	107.1825	1.016	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	3:4:4:1:	5:4:4:	4:	N[5]-3:C-4:C-4:H-1:	P[3x5]-5:C[5]-4:C-4:	C-4:	C(N[5]P[3x5]C[5])(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	H(CN[5]CC)	C(N[5]P[3x5]C[5])(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	H(CN[5]CC)	107.1380	0.303	3	107.1380	0.092	3	107.1380	0.092	3	107.1380	0.092	3	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	H(CC[6,6]N[5]H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CC[6,6]N[5]H)	109.0625	0.121	4	109.0625	0.015	4	109.0625	0.015	4	109.0625	0.015	4	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:3:4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH)	H(CC[3]N[5]H)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[3]N[5]H)	107.9355	0.076	2	107.9355	0.006	2	107.9355	0.006	2	107.9355	0.006	2	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH)	H(CC[3]N[5]H)	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH){4|H<1>}	H(CC[3]N[5]H)	109.4907	0.037	6	109.4907	0.001	6	109.4907	0.001	6	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[5]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH)	H(CC[3]N[5]H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH){1|C<4>,3|H<1>}	H(CC[3]N[5]H)	107.6005	0.036	2	107.6005	0.001	2	107.6005	0.001	2	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	H(CC[5]N[5]H)	109.2100	0.047	2	109.2100	0.002	2	108.8679	0.738	17	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	H(CC[5]N[5]H)	109.3510	0.166	8	109.3510	0.028	8	108.8679	0.738	17	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	H(CC[5]N[5]H)	108.2181	1.046	7	108.2181	1.094	7	108.8679	0.738	17	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH)	H(CC[6]N[5]H)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH){4|H<1>}	H(CC[6]N[5]H)	108.5395	0.170	4	108.5395	0.029	4	108.5395	0.029	4	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:1:1:	4:4:4:	4:	P-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP)	H(CN[5]HP)	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP){1|C<4>,2|H<1>}	H(CN[5]HP)	109.1058	0.381	4	109.1058	0.145	4	109.1058	0.145	4	108.8934	0.579	33	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH)	H(CC[6]N[5]C)	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH){1|C<4>,2|H<1>}	H(CC[6]N[5]C)	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	109.1814	1.154	2921	109.1932	1.213	3010
490	542	951	0:SP3_SP-NON_SP3	C	N[5]	H	4:3:4:1:	4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	H(CC[5,5]N[5]C)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	H(CC[5,5]N[5]C)	103.6320	0.000	1	103.6320	0.000	1	103.6320	0.000	1	103.6320	0.000	1	109.1814	1.154	2921	109.1932	1.213	3010