490	490	538	0:SP3_SP3_SPD5	C	C	Ge[5,3x6]	5:4:1:1:	4:4:1:1:	3:3:3:3:4:	Ge[5,3x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:H-1:H-1:O-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(H)2(O)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(H)2(O)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C){2|H<1>}	110.4890	0.404	3	110.4890	0.163	3	110.4890	0.163	3	110.4890	0.163	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:1:1:1:	4:3:3:	N[5]-3:N[5]-3:C[6]-3:C-4:	C-4:H-1:H-1:H-1:	C-4:N[5]-3:C[5]-3:	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C(CC[6]N[5]2)(H)3	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C(CC[6]N[5]2)(H)3	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	109.8650	0.025	2	109.8650	0.001	2	109.8650	0.001	2	109.8650	0.001	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OC)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C){2|H<1>}	110.5085	1.331	12	110.5085	1.771	12	110.1177	1.430	32	110.1177	1.430	32	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C){2|H<1>}	109.8377	1.464	6	109.8377	2.143	6	110.1177	1.430	32	110.1177	1.430	32	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OH)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OH)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C){2|H<1>}	109.8062	0.725	5	109.8062	0.526	5	110.1177	1.430	32	110.1177	1.430	32	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C){2|H<1>}	109.7653	1.085	6	109.7653	1.177	6	110.1177	1.430	32	110.1177	1.430	32	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OP)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C)	C(N[5]C[5]N[5])3(CHHO)	C(CN[5]3)(OP)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C){2|H<1>}	110.3380	1.110	3	110.3380	1.233	3	110.1177	1.430	32	110.1177	1.430	32	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:3:4:	4:2:1:1:	4:3:3:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C-4:O-2:H-1:H-1:	C-4:N[5]-3:C[5]-3:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C(CN[5a]N[5]2)(ORu)(H)2	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	C(CN[5a]N[5]2)(ORu)(H)2	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	110.5310	0.337	2	110.5310	0.113	2	110.5310	0.113	2	110.5310	0.113	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:3:4:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CN[5]2H)(H)	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)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	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>}	110.4802	1.818	4	110.4802	3.304	4	110.4802	3.304	4	110.4802	3.304	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:3:4:2:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH){1|C<4>,1|H<1>}	110.9680	1.051	2	110.9680	1.104	2	110.9680	1.104	2	111.2545	0.720	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:3:4:2:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	111.2954	0.855	14	111.2954	0.731	14	111.2954	0.731	14	111.2545	0.720	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:3:4:4:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	116.8770	0.223	2	116.8770	0.050	2	116.8770	0.050	2	116.8770	0.050	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	114.0630	1.394	2	114.0630	1.944	2	112.8710	1.283	10	112.8689	1.095	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	111.5400	1.351	2	111.5400	1.824	2	112.8710	1.283	10	112.8689	1.095	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.9173	0.526	6	112.9173	0.276	6	112.8710	1.283	10	112.8689	1.095	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	O-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(OC[6a]Cr)(CN[5]2H)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHO)(H)	C(OC[6a]Cr)(CN[5]2H)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.5180	0.983	4	112.5180	0.966	4	112.5180	0.966	4	112.8689	1.095	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	S-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(SC[6a]Cu)(CN[5]2H)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C(SC[6a]Cu)(CN[5]2H)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	113.5600	0.734	2	113.5600	0.539	2	113.5600	0.539	2	112.8689	1.095	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:1:1:	4:3:4:	B[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:2:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	111.9630	1.604	2	111.9630	2.572	2	111.9630	2.572	2	111.9630	2.572	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6,6]-3:C-4:N-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	111.4898	0.420	4	111.4898	0.177	4	111.4898	0.177	4	112.4181	1.194	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6,6]-3:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	113.5125	0.790	2	113.5125	0.624	2	113.5125	0.624	2	112.4181	1.194	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	3:4:3:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.7993	1.027	4	112.7993	1.055	4	112.7993	1.055	4	112.4181	1.194	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	110.3230	0.604	3	110.3230	0.365	3	110.3230	0.365	3	110.3230	0.365	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	107.7960	0.000	1	107.7960	0.000	1	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	108.5340	0.000	1	108.5340	0.000	1	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	110.8275	0.224	2	110.8275	0.050	2	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	112.7760	0.000	1	112.7760	0.000	1	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	109.5980	0.928	9	109.5980	0.861	9	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	111.9550	0.092	2	111.9550	0.008	2	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	110.0500	0.000	1	110.0500	0.000	1	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	109.2300	0.000	1	109.2300	0.000	1	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	110.6255	0.893	2	110.6255	0.798	2	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	109.5708	1.310	4	109.5708	1.717	4	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	111.0205	0.040	2	110.6672	0.124	5	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	110.4317	0.199	3	110.6672	0.124	5	110.1104	1.520	29	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	108.9780	0.004	2	108.9780	0.000	2	108.9780	0.000	2	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	109.5700	0.000	1	109.5700	0.000	1	110.8960	3.517	2	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	112.2220	0.000	1	112.2220	0.000	1	110.8960	3.517	2	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CH3)(H)	C(CN[5]2H)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CH3)(H)	C(CN[5]2H)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH){1|Br<1>,1|C<4>}	112.1105	0.242	4	112.1105	0.059	4	112.1105	0.059	4	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Br<1>,1|C<4>}	110.4320	0.000	1	110.5145	0.014	2	110.5145	0.014	2	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|C<4>,1|I<1>}	110.5970	0.000	1	110.5145	0.014	2	110.5145	0.014	2	110.3948	1.892	40	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:2:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:P[5]-2:	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C(CC[5a]N[5]H)(H)3	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C(CC[5a]N[5]H)(H)3	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	109.2305	0.100	2	109.2305	0.010	2	109.2305	0.010	2	109.7112	0.962	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	110.0800	0.840	2	110.0800	0.706	2	109.8486	1.182	7	109.7112	0.962	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	108.9373	0.568	3	108.9373	0.323	3	109.8486	1.182	7	109.7112	0.962	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]Rh)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	110.9840	0.751	2	110.9840	0.564	2	109.8486	1.182	7	109.7112	0.962	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	110.9360	0.000	1	110.9360	0.000	1	110.4145	0.544	2	110.4145	0.544	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	109.8930	0.000	1	109.8930	0.000	1	110.4145	0.544	2	110.4145	0.544	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	111.4785	1.121	2	111.4785	1.256	2	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH){2|H<1>,2|O<2>}	109.9090	0.000	1	109.9090	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	111.4110	0.000	1	111.4110	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	109.8710	0.000	1	109.9645	0.017	2	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	110.0580	0.000	1	109.9645	0.017	2	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	110.1660	0.000	1	110.1660	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	110.8010	0.000	1	110.8010	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH){2|H<1>}	109.9750	0.013	2	109.9750	0.000	2	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH){2|H<1>}	110.2290	0.000	1	110.2290	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	110.0770	0.000	1	110.0770	0.000	1	110.4338	0.498	13	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:Br-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C(CC[6a]N[5]H)(Br)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C(CC[6a]N[5]H)(Br)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	110.6500	0.000	1	110.9895	0.231	2	110.9895	0.231	2	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	111.3290	0.000	1	110.9895	0.231	2	110.9895	0.231	2	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)2(CH3)(H)	C(CN[5]2H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	C(N[5]C[5]2)2(CH3)(H)	C(CN[5]2H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	111.1225	0.012	2	111.1225	0.000	2	111.1225	0.000	2	110.5289	0.519	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.4637	0.701	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)2(CHHO)(H)	C(CN[5]2H)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C(N[5]C[5]2)2(CHHO)(H)	C(CN[5]2H)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	111.6065	0.216	2	111.6065	0.047	2	111.6065	0.047	2	112.4637	0.701	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMn)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMn)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.7567	0.843	4	112.7567	0.711	4	112.7567	0.711	4	112.4637	0.701	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:S-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SC[6a])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SC[6a])(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.6085	1.228	2	112.6085	1.509	2	112.6085	1.509	2	112.4637	0.701	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	114.5860	0.000	1	113.7640	1.351	2	114.2783	1.469	3	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	112.9420	0.000	1	113.7640	1.351	2	114.2783	1.469	3	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	115.3070	0.000	1	115.3070	0.000	1	114.2783	1.469	3	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	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>}	112.9630	0.000	1	112.9630	0.000	1	112.8730	0.425	4	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	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>}	112.8270	1.124	2	112.8270	1.264	2	112.8730	0.425	4	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	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>}	112.8750	0.000	1	112.8750	0.000	1	112.8730	0.425	4	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	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>}	109.3450	0.000	1	109.3450	0.000	1	109.3450	0.000	1	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:Se-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C(CC[6a]N[5]H)(SeC[6a])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C(CC[6a]N[5]H)(SeC[6a])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	110.3025	1.897	2	110.3025	3.599	2	110.3025	3.599	2	112.4277	4.158	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	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>}	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:2:3:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:S-2:S-2:C-3:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C(CC[6a]N[5]H)(SC[6a])2(CHO)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C(CC[6a]N[5]H)(SC[6a])2(CHO)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	112.5715	1.487	2	112.5715	2.211	2	112.5715	2.211	2	112.5715	2.211	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:Se-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:Br-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	112.6330	0.000	1	112.6330	0.000	1	111.8717	0.672	3	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	111.9780	0.000	1	111.9780	0.000	1	111.8717	0.672	3	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	111.0040	0.000	1	111.0040	0.000	1	111.8717	0.672	3	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NHS)(H)2	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>}	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	111.6985	3.048	2	111.6985	9.292	2	111.8395	2.367	6	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	112.0935	1.380	2	112.0935	1.903	2	111.8395	2.367	6	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnC)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnC)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	111.7265	0.668	2	111.7265	0.447	2	111.8395	2.367	6	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMnH)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMnH)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.4102	0.799	6	112.4102	0.639	6	112.4102	0.639	6	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SCrC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SCrC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	113.4185	0.039	4	113.4185	0.001	4	113.4185	0.001	4	112.2532	1.381	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5])	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[5a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	109.8902	1.017	18	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<2>}	109.9332	0.944	5	109.8195	0.985	17	109.8195	0.985	17	109.8902	1.017	18	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<3>,1|N<3>}	109.4533	1.812	3	109.8195	0.985	17	109.8195	0.985	17	109.8902	1.017	18	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<2>}	109.8263	0.910	6	109.8195	0.985	17	109.8195	0.985	17	109.8902	1.017	18	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	3:4:2:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	N[5](C[5]N[5]S)(CC[6a]CH)(N[5]C[5]){1|C<4>,1|N<3>}	109.9827	0.687	3	109.8195	0.985	17	109.8195	0.985	17	109.8902	1.017	18	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|H<1>}	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:2:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:N-2:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	115.3830	0.000	1	115.3830	0.000	1	115.3830	0.000	1	115.3830	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:3:1:	3:3:4:	N[5]-3:C-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C(CN[5]CH)(CCH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C(CN[5]CH)(CCH)2(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	111.2765	0.676	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:3:1:	3:3:4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	111.2765	0.676	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:3:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	114.4776	0.859	5	114.4776	0.738	5	114.4776	0.738	5	114.4776	0.738	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:3:4:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	113.7690	1.013	4	113.7690	1.026	4	113.7690	1.026	4	113.7690	1.026	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:4:1:	3:3:4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:O-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:4:4:	3:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:O-3:C-4:C-4:	N[5]-3:C[5]-3:C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH){2|H<1>}	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	112.3725	0.483	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:3:4:4:	3:3:4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:S-3:C-4:C-4:	N[5]-3:C[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CN[5a]N[5]H)(SZn2)(CH3)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CN[5a]N[5]H)(SZn2)(CH3)2	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH){1|C<3>,1|H<1>}	112.8640	0.000	1	112.8640	0.000	1	112.8640	0.000	1	112.3725	0.483	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	109.1380	0.000	1	109.1380	0.000	1	110.3895	3.133	2	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	111.6410	0.000	1	111.6410	0.000	1	110.3895	3.133	2	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C(CC[6a]N[5]H)(SCOO)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C(CC[6a]N[5]H)(SCOO)(H)2	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	111.6236	0.273	5	111.6236	0.075	5	111.6236	0.075	5	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NNiCH)(H)2	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NNiCH)(H)2	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH){1|C<3>}	111.9545	0.917	2	111.9545	0.841	2	111.9545	0.841	2	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NAlCrC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NAlCrC)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.4120	0.731	2	112.4120	0.535	2	112.1393	0.656	20	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCrCH)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCrCH)(H)2	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.2530	0.796	4	112.2530	0.634	4	112.1393	0.656	20	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCuHH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCuHH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	112.5845	0.569	6	112.5845	0.323	6	112.1393	0.656	20	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnCH)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnCH)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	111.4960	0.539	6	111.4960	0.291	6	112.1393	0.656	20	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NReHH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NReHH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	112.2340	1.751	2	112.2340	3.065	2	112.1393	0.656	20	111.9170	0.815	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:2:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CCHO)(H)	C(CN[5]2H)(CC3)(OZn)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CCHO)(H)	C(CN[5]2H)(CC3)(OZn)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	112.4605	3.610	2	112.4605	13.031	2	112.4605	13.031	2	112.0163	7.107	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:2:1:	3:3:4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	112.0163	7.107	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:N-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	N[5](C[5]C[5]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	114.8555	4.856	2	114.8555	23.578	2	114.8555	23.578	2	114.1748	12.605	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	113.8635	5.345	2	113.8635	28.569	2	114.0046	12.672	8	114.1748	12.605	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:1:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	114.0517	3.467	6	114.0517	12.017	6	114.0046	12.672	8	114.1748	12.605	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:2:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:S-2:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH)	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH){2|C<4>}	114.4800	0.233	4	114.4800	0.054	4	114.3971	0.068	8	114.3971	0.068	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:2:	3:3:4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:S-2:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	114.3143	0.294	4	114.3143	0.086	4	114.3971	0.068	8	114.3971	0.068	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	112.4010	0.351	2	112.4010	0.123	2	112.7983	0.625	20	112.7983	0.625	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	113.6965	0.380	2	113.6965	0.144	2	112.7983	0.625	20	112.7983	0.625	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	112.4871	0.671	12	112.4871	0.450	12	112.7983	0.625	20	112.7983	0.625	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	113.4813	0.752	4	113.4813	0.566	4	112.7983	0.625	20	112.7983	0.625	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	4:3:4:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC[5a]N[5]H)(CH3)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC[5a]N[5]H)(CH3)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	113.5247	1.074	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH){1|C<4>,2|H<1>}	112.9300	0.161	2	112.9300	0.026	2	112.9300	0.026	2	113.5247	1.074	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:3:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-3:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CH3)(COO)	C(CN[5]2C)(H)3	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)(COO)	C(CN[5]2C)(H)3	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	111.7150	0.250	2	111.7150	0.063	2	111.5530	0.077	4	111.5530	0.077	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:3:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-3:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CH3)(COO)	C(CN[5]2C)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)(COO)	C(CN[5]2C)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	111.3910	0.250	2	111.3910	0.063	2	111.5530	0.077	4	111.5530	0.077	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC){1|C<4>,1|H<1>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	109.6579	1.268	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC){2|H<1>}	109.7605	1.115	4	109.7605	1.243	4	109.7672	1.326	8	109.6579	1.268	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC)	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC){2|H<1>}	109.7740	1.361	4	109.7740	1.852	4	109.7672	1.326	8	109.6579	1.268	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C(CC[6a]N[5]C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C(CC[6a]N[5]C)(H)3	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC){2|C<4>,2|H<1>}	109.5140	0.184	2	109.5140	0.034	2	109.5140	0.034	2	109.5140	0.034	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:3:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC){1|C<4>,1|H<1>}	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-2:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	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>}	109.2188	0.547	4	109.2188	0.299	4	109.2188	0.299	4	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.0675	3.118	2	111.0675	9.720	2	112.2501	5.493	8	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	116.6120	0.000	1	116.6120	0.000	1	112.2501	5.493	8	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	110.8720	0.733	2	111.4943	1.430	3	112.2501	5.493	8	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	112.7390	0.000	1	111.4943	1.430	3	112.2501	5.493	8	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	112.3855	1.515	2	112.3855	2.296	2	112.2501	5.493	8	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]N[5]N)(N[5]N[5])(CCHH){1|H<1>}	112.8155	0.627	2	112.8155	0.393	2	112.8155	0.393	2	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	111.6351	5.193	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	113.1955	0.312	2	113.1955	0.097	2	113.1955	0.097	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	111.6220	0.000	1	111.6220	0.000	1	111.6220	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.8490	1.083	2	110.8490	1.174	2	111.6103	2.326	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	113.1330	0.000	1	113.1330	0.000	1	111.6103	2.326	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	112.0060	0.000	1	112.1220	1.256	3	112.1220	1.256	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	112.1800	1.578	2	112.1220	1.256	3	112.1220	1.256	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	111.9660	1.295	4	111.9660	1.676	4	112.1670	1.188	6	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(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>}	113.0300	0.000	1	113.0300	0.000	1	112.1670	1.188	6	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(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>}	112.1080	0.000	1	112.1080	0.000	1	112.1670	1.188	6	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.0350	1.034	2	111.0350	1.069	2	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	114.0100	0.000	1	114.0100	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	111.8700	0.000	1	111.8700	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	112.9540	0.000	1	112.9540	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.3727	0.727	7	112.3727	0.528	7	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	113.0930	0.000	1	113.0930	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]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>}	110.9630	0.000	1	110.9630	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	111.3760	0.000	1	111.8090	0.375	2	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>}	112.2420	0.000	1	111.8090	0.375	2	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	110.3180	0.000	1	111.0853	0.444	3	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	111.4220	0.000	1	111.0853	0.444	3	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	111.5160	0.000	1	111.0853	0.444	3	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	111.2480	0.000	1	111.2480	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.6200	0.000	1	113.6200	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]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>}	111.8590	0.000	1	111.8590	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]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>}	111.9827	1.711	3	111.9827	2.926	3	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.1210	0.000	1	112.1210	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.0860	0.000	1	112.0860	0.000	1	112.0491	1.045	27	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	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>}	115.9420	2.551	4	115.9420	6.509	4	115.9420	6.509	4	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	110.7230	0.000	1	110.7230	0.000	1	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	110.4250	0.890	2	110.4250	0.791	2	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	113.7235	2.551	2	113.7235	6.505	2	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	118.1970	0.000	1	118.1970	0.000	1	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	113.6255	1.606	2	113.6255	2.579	2	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	111.9135	0.476	6	111.9135	0.227	6	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	111.8870	0.387	6	111.8870	0.150	6	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(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>}	112.8300	0.000	1	112.8300	0.000	1	112.3858	3.283	21	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.9510	0.000	1	110.9510	0.000	1	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	111.2030	0.000	1	111.2030	0.000	1	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	108.7235	0.377	2	110.1387	2.944	24	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	110.2673	1.735	22	110.1387	2.944	24	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.6778	2.131	5	113.6778	4.539	5	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.1850	0.782	2	114.1850	0.612	2	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	123.5753	7.403	3	123.5753	54.805	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	112.3730	0.181	2	112.3730	0.033	2	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.4150	0.000	1	113.4150	0.000	1	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	107.9850	0.000	1	107.9850	0.000	1	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	110.9755	0.257	2	110.9755	0.066	2	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	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)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.0125	3.211	4	114.0125	10.314	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	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)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.1942	1.986	8	114.1942	3.944	8	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	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)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.3995	2.968	4	114.3995	8.806	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	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)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.8470	2.554	4	114.8470	6.525	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.8565	2.351	2	113.0987	12.034	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	109.5830	0.000	1	113.0987	12.034	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	111.6190	0.823	4	111.6190	0.678	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.1795	3.724	11	114.3086	7.613	34	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.0747	0.264	3	114.3086	7.613	34	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.5648	2.366	20	114.3086	7.613	34	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]H)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]H)2(CCHH){1|Zn<4>}	112.2478	0.750	6	112.2478	0.562	6	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	112.0057	1.347	3	112.0057	1.815	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	112.5280	3.011	3	112.5280	9.066	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.3385	2.285	2	116.2275	13.329	6	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	117.1720	4.112	4	116.2275	13.329	6	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	111.6903	2.820	6	111.6903	7.952	6	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.6502	3.001	10	114.6502	9.008	10	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	111.8030	1.676	2	114.0348	10.184	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	116.2665	2.797	2	114.0348	10.184	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	112.9305	2.997	2	113.0292	3.536	14	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.0457	1.833	12	113.0292	3.536	14	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	114.3812	1.448	6	114.2346	1.593	8	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.7950	0.387	2	114.2346	1.593	8	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	112.2800	1.947	6	112.2800	3.791	6	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.0495	3.223	4	113.0495	10.388	4	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.1457	2.089	3	111.1457	4.364	3	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.8230	0.000	1	113.8230	0.000	1	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	115.5660	0.000	1	115.1725	0.310	2	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	114.7790	0.000	1	115.1725	0.310	2	113.2789	9.842	179	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.1120	0.000	1	112.1120	0.000	1	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	115.5320	0.086	2	115.5320	0.007	2	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	114.8255	1.037	2	114.8255	1.076	2	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	110.4580	1.155	2	110.4580	1.335	2	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	112.2425	1.088	2	113.0215	1.453	4	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	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>}	113.8005	0.865	2	113.0215	1.453	4	113.2572	3.925	11	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]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>}	110.9490	0.000	1	111.9570	2.032	2	111.9570	2.032	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]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>}	112.9650	0.000	1	111.9570	2.032	2	111.9570	2.032	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.1710	0.000	1	111.1710	0.000	1	110.9010	0.255	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]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>}	110.3180	0.000	1	110.3180	0.000	1	110.9010	0.255	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.2140	0.000	1	111.2140	0.000	1	110.9010	0.255	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]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>}	112.1020	0.021	2	112.1020	0.000	2	112.6813	1.004	4	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]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>}	114.1740	0.000	1	114.1740	0.000	1	112.6813	1.004	4	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]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>}	112.3470	0.000	1	112.3470	0.000	1	112.6813	1.004	4	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.4720	1.189	2	113.4720	1.415	2	113.4720	1.415	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(OC[6a]Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(OC[6a]Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(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>}	113.2610	0.000	1	113.2610	0.000	1	113.2610	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.6793	0.634	3	111.6793	0.402	3	111.5575	0.662	6	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.4357	1.099	3	111.4357	1.208	3	111.5575	0.662	6	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	111.5870	0.000	1	111.5870	0.000	1	111.4445	0.041	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	111.3020	0.000	1	111.3020	0.000	1	111.4445	0.041	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C(SeC[6]Pd)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C(SeC[6]Pd)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(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>}	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Ag)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Ag)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	114.2760	0.000	1	114.2760	0.000	1	112.8290	1.570	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.1055	0.011	2	112.1055	0.000	2	112.8290	1.570	3	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	112.1320	0.000	1	112.1320	0.000	1	113.5285	3.900	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	114.9250	0.000	1	114.9250	0.000	1	113.5285	3.900	2	112.9383	7.374	286	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]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>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH){2|C<4>,2|H<1>}	110.6565	0.036	2	110.6565	0.001	2	111.5626	0.600	8	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH){4|H<1>}	112.3800	0.000	1	112.3800	0.000	1	111.5626	0.600	8	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	111.5360	0.475	4	111.5360	0.225	4	111.5626	0.600	8	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	112.6640	0.000	1	112.6640	0.000	1	111.5626	0.600	8	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	111.7200	0.000	1	111.7200	0.000	1	112.8560	2.581	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	113.9920	0.000	1	113.9920	0.000	1	112.8560	2.581	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	112.9720	0.000	1	112.9720	0.000	1	114.1507	1.069	3	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	114.7400	0.235	2	114.7400	0.055	2	114.1507	1.069	3	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	115.3075	0.245	2	115.3075	0.060	2	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	112.8620	0.378	4	112.8620	0.143	4	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH){2|H<1>,2|O<2>}	111.4480	0.000	1	111.4480	0.000	1	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	113.7270	1.215	3	113.7270	1.476	3	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	111.3160	0.000	1	111.3160	0.000	1	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	113.2020	0.000	1	113.2020	0.000	1	113.2675	1.834	12	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(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>}	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.8195	0.979	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	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>}	113.5190	0.000	1	113.5190	0.000	1	112.8195	0.979	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	112.1840	0.000	1	112.1840	0.000	1	112.6710	0.821	7	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	112.6344	1.029	5	112.6344	1.059	5	112.6710	0.821	7	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	113.3410	0.000	1	113.3410	0.000	1	112.6710	0.821	7	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]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>}	111.6440	0.098	2	111.6937	0.012	3	111.6937	0.012	3	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	111.7930	0.000	1	111.6937	0.012	3	111.6937	0.012	3	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	111.8175	1.913	2	111.8175	3.659	2	111.8175	3.659	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	112.3820	1.667	2	112.3820	2.780	2	112.3820	2.780	2	112.6743	1.721	42	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	111.7790	0.000	1	111.8696	0.760	5	111.6576	0.650	7	111.6576	0.650	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	111.8923	1.005	4	111.8696	0.760	5	111.6576	0.650	7	111.6576	0.650	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	111.1275	0.272	2	111.1275	0.074	2	111.6576	0.650	7	111.6576	0.650	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.9970	0.000	1	111.9970	0.000	1	111.3830	0.754	2	110.4770	0.922	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.7690	0.000	1	110.7690	0.000	1	111.3830	0.754	2	110.4770	0.922	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CN[5]CH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CN[5]CH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.1146	0.787	5	110.1146	0.619	5	110.1146	0.619	5	110.4770	0.922	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	111.9995	0.715	2	111.9995	0.511	2	111.9995	0.511	2	111.9995	0.511	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ru<9>,1|H<1>}	112.7820	1.209	2	112.0935	1.615	4	111.7440	1.822	5	111.7440	1.822	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	111.4050	1.219	2	112.0935	1.615	4	111.7440	1.822	5	111.7440	1.822	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	110.3460	0.000	1	110.3460	0.000	1	111.7440	1.822	5	111.7440	1.822	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.4625	0.006	2	111.4625	0.000	2	110.8465	1.316	4	110.8465	1.316	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	110.2305	1.559	2	110.2305	2.431	2	110.8465	1.316	4	110.8465	1.316	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:3:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-3:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	N[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){1|H<1>}	112.3350	0.318	2	112.3350	0.101	2	112.3458	0.088	6	112.3458	0.088	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	3:4:4:3:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-3:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	N[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){1|H<1>}	112.3512	0.335	4	112.3512	0.113	4	112.3458	0.088	6	112.3458	0.088	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	2:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Cu<5>,1|H<1>}	111.8160	0.000	1	112.2450	2.684	3	112.2450	2.684	3	112.2450	2.684	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	2:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[5])(N[5]N[5])(CCHH)	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[5])(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	112.4595	2.256	2	112.2450	2.684	3	112.2450	2.684	3	112.2450	2.684	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	113.1245	0.032	2	113.1245	0.001	2	113.1245	0.001	2	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	111.9160	0.246	2	111.9160	0.061	2	112.2448	1.561	4	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(C[5]C[5])(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(C[5]C[5])(CCHH){1|C<4>,1|H<1>}	114.0210	0.000	1	114.0210	0.000	1	112.2448	1.561	4	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]N[5])(CCHH){1|C<4>}	111.1260	0.000	1	111.1260	0.000	1	112.2448	1.561	4	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	112.5930	0.000	1	112.5930	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C[6])(N[5]N[5])(CCHH){1|Pd<4>,1|O<2>,3|C<4>}	111.8360	0.223	2	111.8360	0.050	2	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	114.0460	0.000	1	112.3548	30.443	9	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	110.0806	14.779	2	112.3548	30.443	9	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	113.0182	1.541	5	112.3548	30.443	9	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	111.8950	0.000	1	112.3548	30.443	9	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.0491	1.245	9	111.4575	1.082	19	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ir)(N[5]N[5])(CCHH){2|C<4>}	111.8251	0.686	10	111.4575	1.082	19	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Mn)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.7910	0.000	1	111.7910	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.3786	1.853	7	111.9515	5.569	8	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	115.9620	0.000	1	111.9515	5.569	8	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Pt)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.5880	0.000	1	111.5880	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	110.6940	0.000	1	110.6940	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	110.4820	0.000	1	110.4820	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	111.6960	0.000	1	111.6960	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	110.6270	0.000	1	111.7785	2.652	2	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	112.9300	0.000	1	111.7785	2.652	2	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	111.0910	0.000	1	111.0910	0.000	1	111.7375	6.823	47	111.8389	6.100	54	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(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>}	114.3020	0.000	1	114.3020	0.000	1	113.2927	0.767	3	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(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>}	112.7880	0.071	2	112.7880	0.005	2	113.2927	0.767	3	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.8610	1.714	3	110.8610	2.937	3	110.8610	2.937	3	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.2393	0.081	3	112.2393	0.007	3	111.6920	0.662	5	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.3110	0.000	1	111.3110	0.000	1	111.6920	0.662	5	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	110.4310	0.000	1	110.4310	0.000	1	111.6920	0.662	5	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	111.4950	0.161	2	111.4950	0.026	2	111.4950	0.026	2	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	112.0720	1.807	2	112.5828	1.450	4	112.1150	1.904	6	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	113.0935	0.197	2	112.5828	1.450	4	112.1150	1.904	6	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	111.1795	1.596	2	111.1795	2.547	2	112.1150	1.904	6	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.2010	0.000	1	111.2010	0.000	1	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.6888	0.878	6	112.0590	0.627	13	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.5000	0.707	2	112.0590	0.627	13	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.1517	0.573	4	112.0590	0.627	13	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	113.0270	0.000	1	112.0590	0.627	13	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.5700	0.000	1	112.8033	0.193	3	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	112.9200	0.552	2	112.8033	0.193	3	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.2119	1.501	16	111.2119	2.254	16	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.5420	0.000	1	112.5420	0.000	1	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0053	1.004	3	112.5164	0.694	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9755	0.153	4	112.5164	0.694	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.3073	0.937	3	112.5164	0.694	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	112.9410	0.122	2	112.5164	0.694	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	112.7540	0.929	2	112.5164	0.694	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.6610	0.000	1	113.6610	0.000	1	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.6208	0.305	4	111.5986	0.238	7	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.5690	0.000	1	111.5986	0.238	7	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.5690	1.071	2	111.5986	0.238	7	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.8570	0.584	4	112.9003	1.247	6	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.9870	2.278	2	112.9003	1.247	6	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9015	1.664	2	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.2530	1.170	3	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0235	0.442	8	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0215	1.261	4	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	110.9760	0.000	1	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.2340	0.430	2	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.1117	0.353	3	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.3855	1.604	2	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.5393	1.359	3	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	112.5670	0.000	1	111.7438	0.835	29	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	110.7265	1.282	2	110.7265	1.643	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9362	0.853	22	111.8405	0.776	24	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	110.7875	0.373	2	111.8405	0.776	24	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.5790	1.193	3	112.5790	1.422	3	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	111.9145	0.624	2	111.9145	0.390	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9880	1.946	2	111.9880	3.787	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0660	1.031	6	112.0693	0.886	7	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0890	0.000	1	112.0693	0.886	7	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.0905	0.742	4	111.0905	0.550	4	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.9085	1.409	2	112.9085	1.986	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.8740	0.000	1	112.8740	0.000	1	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	111.6298	0.749	20	111.6298	0.560	20	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	110.2390	1.206	2	110.2390	1.455	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	112.2000	0.000	1	112.2000	0.000	1	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	111.7510	1.277	6	111.7510	1.630	6	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	112.5645	0.115	2	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	111.3750	0.000	1	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	112.1702	2.442	4	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	112.9450	0.378	2	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	111.3260	0.000	1	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	111.4250	0.000	1	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	109.8290	0.000	1	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	111.8700	1.546	2	111.9568	2.220	14	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.3060	0.798	2	112.3060	0.636	2	111.8735	1.162	183	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C(N[5]C[5,6a]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.8565	0.687	2	113.8565	0.471	2	113.8565	0.471	2	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){1|H<1>,3|C<4>}	112.5580	0.000	1	112.1240	0.608	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[3x6]N[5])(C[5]N[5]S)(CCHH){4|C<4>}	111.9070	0.966	2	112.1240	0.608	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	111.1320	0.327	2	111.1320	0.107	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	111.8250	0.000	1	111.8250	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|O<2>}	111.6460	0.000	1	111.6460	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	111.7620	0.000	1	111.7510	1.014	10	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	111.7498	1.068	9	111.7510	1.014	10	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	112.6820	0.000	1	112.6820	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	116.4690	0.000	1	116.4690	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	112.0050	0.249	4	112.0050	0.062	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.6370	0.628	2	111.6370	0.394	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.8620	0.478	2	111.8620	0.228	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	110.9022	0.928	4	110.9022	0.861	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	111.4160	0.000	1	111.4160	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH){1|H<1>}	108.9870	0.000	2	108.9870	0.000	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	111.7163	0.317	4	111.7163	0.100	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	112.9590	0.001	2	112.9590	0.000	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	113.4663	1.067	4	113.4663	1.138	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	112.3330	0.593	2	112.3330	0.351	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH){1|C<4>}	111.7460	0.000	1	111.7460	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	112.1223	0.891	3	112.1223	0.793	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	114.5380	0.000	1	114.5380	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	113.0397	4.778	14	112.7477	15.259	22	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Co<6>,1|H<1>}	110.8970	0.168	3	112.7477	15.259	22	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	113.0404	1.711	5	112.7477	15.259	22	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	112.3275	1.098	2	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.0280	0.730	6	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.7416	3.499	173	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	112.5455	0.845	4	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	110.9100	0.000	1	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	112.2047	0.395	3	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	112.9505	1.303	4	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	112.1270	0.327	2	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mg<6>,1|H<1>}	112.2343	0.468	3	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	112.9862	2.205	4	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	111.8585	0.368	2	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<6>,1|H<1>}	112.1987	0.687	3	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	113.3707	2.199	6	111.8830	10.321	213	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	111.1840	0.845	8	111.1840	0.713	8	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	111.6250	0.000	1	111.6250	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	111.9230	0.000	1	111.9230	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|Fe<5>,1|C<4>}	111.8110	0.942	3	111.8110	0.888	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	111.3996	0.405	9	111.7660	0.438	25	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	111.9721	0.698	16	111.7660	0.438	25	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH){1|H<1>}	112.0790	0.000	1	112.0790	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	111.1905	1.436	2	111.1905	2.062	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	112.1290	0.000	1	112.1290	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH){1|H<1>}	109.6230	0.000	1	109.6230	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	111.7360	0.000	1	111.7360	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	111.6045	1.323	10	111.7579	1.363	14	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	112.1412	0.618	4	111.7579	1.363	14	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	112.2370	0.000	1	112.2370	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	111.8000	0.977	2	111.8000	0.955	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	111.8530	0.000	1	111.8530	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	111.5030	0.187	2	111.5343	0.020	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	111.5970	0.000	1	111.5343	0.020	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	111.1970	0.564	2	111.1970	0.318	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	110.9153	0.545	4	111.5570	2.282	5	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|S<2>}	114.1240	0.000	1	111.5570	2.282	5	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	111.4246	0.563	8	111.7022	0.465	13	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	112.1464	0.663	5	111.7022	0.465	13	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	111.7695	0.889	2	111.7695	0.790	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	111.7450	0.000	1	111.7450	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH){2|C<4>}	113.1637	0.702	4	113.1637	0.492	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|B<4>}	111.9643	0.872	27	112.1131	0.884	37	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|H<1>}	113.7520	0.000	1	112.1131	0.884	37	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<4>}	111.7380	0.967	3	112.1131	0.884	37	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]S)(CCHH){1|Rh<6>}	112.6972	0.943	6	112.1131	0.884	37	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.2940	0.821	6	112.2940	0.675	6	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH){2|C<4>}	113.3613	0.808	12	113.3613	0.653	12	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.3410	0.631	4	112.3410	0.398	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.6300	0.000	1	111.9387	0.332	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0417	0.659	3	111.9387	0.332	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH){2|C<4>}	113.0990	0.884	2	113.0990	0.781	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.6740	0.459	3	110.6740	0.211	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.6367	0.832	3	113.6367	0.693	3	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ni)(C[5]N[5]H)(CCHH){1|C<4>}	113.0210	0.000	1	113.0210	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.0167	0.617	3	111.4718	2.210	14	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.3232	1.638	11	111.4718	2.210	14	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	112.0846	1.019	14	112.0846	1.038	14	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.0650	0.000	1	112.0650	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	113.2249	1.249	27	113.2249	1.560	27	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0178	0.779	4	112.0178	0.607	4	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH){2|C<4>}	112.6605	0.274	2	112.6605	0.075	2	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]S[5]N)(C[5]S[5]S)(CCHH)	111.1950	0.000	1	111.1950	0.000	1	112.0371	5.673	513	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	111.6815	1.860	2	111.6815	3.461	2	111.7253	1.736	3	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	111.8130	0.000	1	111.8130	0.000	1	111.7253	1.736	3	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCHH){1|Pd<4>,1|C<4>,2|C<3>}	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHI)(H)2	C(CN[5]HH)(H)2(I)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHI)(H)2	C(CN[5]HH)(H)2(I)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	112.0000	4.383	724	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.6367	1.727	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.0147	0.554	4	113.0147	0.307	4	113.0147	0.307	4	113.6367	1.727	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	113.6367	1.727	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	115.5740	2.144	2	115.5740	4.597	2	114.3520	3.577	4	113.6367	1.727	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	113.1300	0.403	2	113.1300	0.162	2	114.3520	3.577	4	113.6367	1.727	10	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(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>}	113.8920	0.000	1	113.8920	0.000	1	113.8920	0.000	1	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C(N[5]C[3,5]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C(N[5]C[3,5]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	112.4490	0.000	1	112.4490	0.000	1	112.4490	0.000	1	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CF3)(H)2	C(CN[5]HH)(F)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CF3)(H)2	C(CN[5]HH)(F)3	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>}	115.4575	1.872	2	115.4575	3.503	2	115.4575	3.503	2	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.7348	1.000	18	112.7348	1.000	18	112.8035	0.943	21	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.6595	0.303	2	113.6595	0.092	2	112.8035	0.943	21	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	112.3280	0.000	1	112.3280	0.000	1	112.8035	0.943	21	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	114.1490	0.000	1	113.6000	0.603	2	113.6000	0.603	2	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.0510	0.000	1	113.6000	0.603	2	113.6000	0.603	2	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9010	0.000	1	111.9010	0.000	1	112.5258	0.890	5	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.3295	1.049	2	112.6820	1.024	4	112.5258	0.890	5	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0345	0.544	2	112.6820	1.024	4	112.5258	0.890	5	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	115.2270	0.000	1	115.2270	0.000	1	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	112.7170	0.000	1	112.7170	0.000	1	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH){1|C<4>,2|H<1>}	112.4755	2.289	2	112.4755	5.239	2	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<4>,2|H<1>}	113.7118	1.810	6	113.7118	3.275	6	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH){3|H<1>}	113.7310	0.000	1	113.7310	0.000	1	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	113.6167	5.047	3	113.6167	25.469	3	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	112.1430	0.000	1	112.1430	0.000	1	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	112.2510	0.000	1	112.2510	0.000	1	113.3838	5.453	16	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.1257	2.620	49	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	2:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5])(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5])(N[5]N[5])(CCHH){1|C<4>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<3>,1|H<1>}	112.9540	0.000	1	111.7640	2.832	2	111.7640	2.832	2	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]N[5]S)(N[5]C[5])(CCHH){1|C<4>,1|N<3>}	110.5740	0.000	1	111.7640	2.832	2	111.7640	2.832	2	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	111.7270	0.000	1	112.4355	1.004	2	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	113.1440	0.000	1	112.4355	1.004	2	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	110.2640	1.416	4	110.2640	2.005	4	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	112.3460	0.000	1	112.4190	0.011	2	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	112.4920	0.000	1	112.4190	0.011	2	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Co<6>}	111.6822	0.377	4	111.6822	0.142	4	111.4578	1.556	12	111.5016	1.547	14	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(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>}	111.8400	0.000	1	111.8400	0.000	1	112.4695	0.500	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	111.8910	0.000	1	111.8910	0.000	1	112.4695	0.500	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CN)(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>}	113.0735	0.200	2	113.0735	0.040	2	112.4695	0.500	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	111.8100	0.000	1	111.8100	0.000	1	111.6412	2.090	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.0900	0.000	1	113.0900	0.000	1	111.6412	2.090	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	110.8325	1.684	2	110.8325	2.835	2	111.6412	2.090	4	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.7493	0.654	3	111.7493	0.428	3	111.7493	0.428	3	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	111.0173	0.867	4	111.0173	0.751	4	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	111.7680	0.857	2	111.7680	0.734	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	111.4600	0.000	1	111.8399	0.271	11	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	111.9847	0.563	4	111.8399	0.271	11	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	112.0855	0.153	2	111.8399	0.271	11	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	111.6672	0.649	4	111.8399	0.271	11	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	113.7600	0.000	1	113.7600	0.000	1	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	113.2880	0.000	1	113.2880	0.000	1	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(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>}	113.0902	1.763	6	112.9222	3.034	8	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(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>}	112.4185	2.242	2	112.9222	3.034	8	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(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>}	114.5270	1.817	2	114.5270	3.302	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	112.5100	0.000	1	112.5100	0.000	1	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	111.6290	1.075	4	111.6290	1.155	4	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	111.9100	0.000	1	111.9100	0.000	1	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	111.9050	0.000	1	112.1005	0.076	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	112.2960	0.000	1	112.1005	0.076	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	112.0110	0.000	1	111.6915	0.204	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	111.3720	0.000	1	111.6915	0.204	2	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	112.9470	0.725	3	112.9470	0.526	3	112.2544	1.576	42	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.7850	0.000	1	111.7850	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	110.5290	0.000	1	110.5290	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.5680	0.528	9	112.5680	0.278	9	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	112.3060	0.000	1	112.3060	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.4027	0.845	6	111.4710	1.089	8	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	111.6760	1.987	2	111.4710	1.089	8	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.1945	2.142	2	111.4347	3.393	21	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	110.8045	2.274	11	111.4347	3.393	21	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>}	112.2067	0.509	6	111.4347	3.393	21	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	111.8250	0.935	2	111.4347	3.393	21	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	112.4390	0.000	1	112.4390	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH){1|C<3>}	111.9990	0.000	1	111.9990	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.6074	1.092	10	113.6559	1.100	11	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	114.1410	0.000	1	113.6559	1.100	11	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.4265	0.272	2	113.5431	0.860	16	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.5598	0.992	14	113.5431	0.860	16	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6])(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6])(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	112.6530	1.969	2	112.6530	3.875	2	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.5960	0.000	1	111.5960	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.4708	1.008	5	111.3773	0.865	6	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	110.9100	0.000	1	111.3773	0.865	6	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.1530	0.000	1	112.1530	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.7255	1.942	2	112.7255	3.773	2	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.7685	1.916	4	112.6717	2.557	6	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.4780	1.288	2	112.6717	2.557	6	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	114.7925	1.265	4	114.7925	1.600	4	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.4207	0.562	3	111.4207	0.316	3	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	112.6920	0.000	1	112.6920	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	111.9040	0.000	1	111.9040	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.5500	0.268	3	112.5500	0.072	3	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.5730	0.000	1	111.5730	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	110.9345	0.872	2	111.2968	0.390	5	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.5383	0.425	3	111.2968	0.390	5	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>}	111.7220	0.071	2	112.0462	0.336	5	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pt<4>,1|H<1>}	111.8560	0.000	2	112.0462	0.336	5	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	113.0750	0.000	1	112.0462	0.336	5	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	110.9043	0.507	4	110.9043	0.257	4	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	112.0460	0.823	4	112.0460	0.677	4	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	113.5425	0.831	2	113.5425	0.690	2	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.9760	0.000	1	113.9760	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ON)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ON)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.3430	0.000	1	112.3430	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.4810	0.000	1	111.4810	0.000	1	112.3416	2.110	126	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.3837	0.407	3	113.3837	0.166	3	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){2|H<1>}	113.5270	0.000	1	113.5270	0.000	1	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.5720	0.719	4	113.5720	0.516	4	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCd)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCd)(H)2	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.8010	0.000	1	112.8010	0.000	1	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.7590	0.000	1	113.7590	0.000	1	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OP)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OP)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.1580	0.000	1	112.1580	0.000	1	113.3349	0.400	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(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>}	112.6500	0.983	2	112.6500	0.966	2	111.9143	1.692	7	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(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>}	112.1940	1.611	3	112.1940	2.596	3	111.9143	1.692	7	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5])(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>}	110.6970	0.000	1	110.6970	0.000	1	111.9143	1.692	7	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	110.8210	0.000	1	110.8210	0.000	1	111.9143	1.692	7	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	111.1600	0.079	2	111.1600	0.006	2	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0520	1.395	4	112.0520	1.945	4	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6])(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6])(H)2	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	111.3780	0.000	1	111.3780	0.000	1	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.6420	0.000	1	111.6420	0.000	1	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.3350	0.000	1	111.6485	5.689	2	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	109.9620	0.000	1	111.6485	5.689	2	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.2450	0.000	1	111.2450	0.000	1	111.6445	1.289	11	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SeC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SeC)(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>}	113.4160	1.570	2	113.4160	2.464	2	113.4160	2.464	2	112.3163	1.864	210	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	113.9347	1.664	7	113.9347	2.769	7	113.9347	2.769	7	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	111.4090	1.253	2	111.4090	1.570	2	111.4090	1.570	2	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	112.8603	0.426	4	112.8603	0.182	4	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	113.4597	1.501	4	113.4597	2.253	4	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){2|H<1>}	113.6800	0.000	1	113.6800	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	114.1510	0.000	1	114.1510	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	113.2860	0.000	1	113.2860	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(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>}	113.4690	0.000	1	112.7727	0.409	3	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(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>}	112.4245	0.301	2	112.7727	0.409	3	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	111.9980	0.000	1	111.9980	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	113.0060	1.299	5	113.0060	1.686	5	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	111.1570	0.000	1	111.1570	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(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>}	113.4030	0.000	1	113.4030	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	113.2007	0.168	4	113.2007	0.028	4	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	113.0390	0.000	1	113.0390	0.000	1	113.0424	0.868	27	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	110.7570	0.000	1	110.7570	0.000	1	110.7570	0.000	1	113.0339	1.565	38	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	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>}	111.2970	0.167	2	111.2970	0.028	2	111.2970	0.028	2	111.2970	0.028	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:2:2:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	111.7965	0.296	2	111.7928	1.225	6	111.7928	1.225	6	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Mn<6>,1|H<1>}	111.8275	1.575	2	111.7928	1.225	6	111.7928	1.225	6	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Ni<6>,1|H<1>}	111.7545	1.884	2	111.7928	1.225	6	111.7928	1.225	6	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Cu<5>,1|C<3>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	111.7437	1.101	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	112.4050	0.000	1	112.4050	0.000	1	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(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>}	112.3317	1.486	3	112.3317	2.207	3	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0560	0.000	1	113.0560	0.000	1	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	110.3588	0.440	4	110.3588	0.194	4	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	113.6180	0.000	1	113.6180	0.000	1	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	118.0460	0.000	1	113.2773	18.357	3	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	110.8930	1.614	2	113.2773	18.357	3	112.1032	5.122	13	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.4485	0.059	2	111.4485	0.003	2	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1640	0.837	6	113.1640	0.700	6	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.5870	0.000	1	112.5870	0.000	1	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.3730	0.000	1	111.3730	0.000	1	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	112.2245	0.257	2	112.2245	0.066	2	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	107.2455	3.475	2	107.2455	12.079	2	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.3300	0.000	1	112.3300	0.000	1	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.2427	0.701	6	112.2427	0.491	6	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.2011	0.880	7	112.1629	0.675	8	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<8>,1|C<4>}	111.8950	0.000	1	112.1629	0.675	8	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.3930	0.959	4	111.3930	0.919	4	111.9225	2.573	33	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	111.9615	0.172	2	111.9615	0.030	2	112.5005	0.401	4	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){2|H<1>}	113.0395	0.111	2	113.0395	0.012	2	112.5005	0.401	4	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(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>}	111.5265	1.047	2	111.5265	1.097	2	111.2594	0.433	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(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>}	110.8600	0.321	2	110.8600	0.103	2	111.2594	0.433	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	111.5240	0.000	1	111.5240	0.000	1	111.2594	0.433	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.9630	0.000	1	112.9630	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.4391	1.562	11	112.4391	2.439	11	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.9970	0.846	3	111.9970	0.715	3	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	111.0510	0.000	2	111.0510	0.000	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.0422	0.638	9	112.0422	0.407	9	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.3540	0.000	1	113.3540	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5823	0.727	7	112.5823	0.529	7	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.3143	1.997	3	113.3143	3.989	3	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9953	0.636	3	111.9953	0.405	3	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.7240	0.000	1	113.7240	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.2450	0.000	1	112.2450	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	112.4880	0.352	2	112.4880	0.124	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	111.2675	0.538	2	111.2675	0.290	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	110.9100	0.052	2	110.9100	0.003	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	113.5317	2.489	3	112.5082	2.683	9	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.9965	0.934	6	112.5082	2.683	9	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	112.2013	0.610	4	112.2422	0.288	5	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	112.4060	0.000	1	112.2422	0.288	5	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.7950	0.520	2	110.7950	0.271	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.1770	0.000	1	113.1770	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.3695	0.487	2	112.3695	0.237	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[5]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[5]C)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.6600	0.000	1	110.6600	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6]Ta)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6]Ta)(H)2	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	109.9670	0.000	1	109.9670	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.6230	0.000	1	112.6230	0.000	1	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.6305	0.040	2	111.6305	0.002	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.8935	0.660	2	110.8935	0.435	2	112.1719	1.356	75	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.1675	1.000	4	111.1675	1.000	4	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){3|C<3>}	110.5760	0.000	1	110.5760	0.000	1	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(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>}	109.5510	0.000	1	112.7025	19.864	2	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(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>}	115.8540	0.000	1	112.7025	19.864	2	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	114.7645	0.408	2	114.7645	0.166	2	112.2634	4.846	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(ORuC)(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>}	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OIrC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OIrC)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.2550	0.761	2	112.2550	0.579	2	112.9173	2.757	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	115.0760	0.000	1	115.0760	0.000	1	112.9173	2.757	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.7981	1.761	7	112.7981	3.100	7	112.9173	2.757	10	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCu2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCu2)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.4190	0.000	2	112.4190	0.000	2	111.9491	1.544	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCuC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCuC)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.9660	0.000	1	113.9660	0.000	1	111.9491	1.544	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.2390	0.245	2	111.2390	0.060	2	111.9491	1.544	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.5835	0.275	2	110.5835	0.076	2	111.9491	1.544	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONiH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONiH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.1440	0.000	1	113.1440	0.000	1	111.9491	1.544	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5]Pt)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5]Pt)(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>}	111.6670	0.000	1	111.6670	0.000	1	110.5654	0.683	7	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SNi2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SNi2)(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>}	109.5945	0.250	2	109.5945	0.062	2	110.5654	0.683	7	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(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>}	110.7755	0.503	4	110.7755	0.253	4	110.5654	0.683	7	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5]Ru)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5]Ru)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9510	0.000	1	111.9510	0.000	1	110.6735	1.940	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNiC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNiC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.1280	0.000	1	113.1280	0.000	1	110.6735	1.940	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.0200	0.598	2	110.0200	0.358	2	110.6735	1.940	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.3213	1.110	3	110.0673	1.080	4	110.6735	1.940	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	109.3050	0.000	1	110.0673	1.080	4	110.6735	1.940	8	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.6985	0.378	2	111.6985	0.143	2	112.0934	0.476	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	111.9055	0.145	2	111.9055	0.021	2	112.0934	0.476	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SReC)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SReC)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.2590	0.000	1	113.2590	0.000	1	112.0934	0.476	5	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(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>}	110.7340	0.255	2	110.7340	0.065	2	110.7340	0.065	2	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	112.1150	1.669	2	112.1150	2.785	2	112.1150	2.785	2	112.0110	2.238	184	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(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>}	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(COO)(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>}	115.8780	0.000	1	115.8780	0.000	1	115.8780	0.000	1	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(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>}	114.4825	0.127	2	114.4825	0.016	2	114.4825	0.016	2	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[4,5]-4:C-4:	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	112.1120	0.567	2	112.1120	0.322	2	112.1120	0.322	2	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	111.9900	0.000	1	112.5973	0.295	4	113.2856	2.590	5	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	112.8710	0.602	2	112.5973	0.295	4	113.2856	2.590	5	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	112.6570	0.000	1	112.5973	0.295	4	113.2856	2.590	5	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	116.0390	0.000	1	116.0390	0.000	1	113.2856	2.590	5	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(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>}	113.4480	0.000	1	113.4480	0.000	1	113.4480	0.000	1	113.5242	1.873	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C(CN[5]HH)(CCO)(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>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrC)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrC)(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>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8773	3.035	3	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	114.6270	0.000	1	114.6270	0.000	1	112.8773	3.035	3	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	111.1430	0.000	1	111.1430	0.000	1	112.8773	3.035	3	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[5]H)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[5]H)(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>}	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	112.1080	0.000	1	112.1080	0.000	1	113.1556	1.158	7	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	113.4268	1.161	5	113.4268	1.347	5	113.1556	1.158	7	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	112.8470	0.000	1	112.8470	0.000	1	113.1556	1.158	7	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(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>}	114.2957	0.587	3	114.2957	0.345	3	113.5277	0.709	10	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	113.4540	0.828	4	113.4540	0.685	4	113.5277	0.709	10	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	113.0320	0.000	1	113.0320	0.000	1	113.5277	0.709	10	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	113.2490	0.000	1	113.2490	0.000	1	113.5277	0.709	10	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	112.2930	0.000	1	112.2930	0.000	1	113.5277	0.709	10	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	111.1020	0.000	1	111.1020	0.000	1	111.5127	0.201	3	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SRu2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SRu2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,1|C<4>,1|H<1>}	111.7180	0.386	2	111.7180	0.149	2	111.5127	0.201	3	113.0149	1.431	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHN)(H)2	C(CN[5]HH)(COO)(NCH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHN)(H)2	C(CN[5]HH)(COO)(NCH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	N[5](C[5]N[5]Rh)(N[5]C[5])(CCHH){1|H<1>,1|N<3>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.9913	0.903	8	111.9913	0.815	8	111.7971	1.052	9	111.7971	1.052	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH){2|C<3>}	110.2440	0.000	1	110.2440	0.000	1	111.7971	1.052	9	111.7971	1.052	9	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CN[5]HH)(NC[5]H)(CH3)(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CN[5]HH)(NC[5]H)(CH3)(H)	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>}	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhB)(CH3)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhB)(CH3)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9980	0.000	1	111.9980	0.000	1	112.0120	0.000	2	112.0120	0.000	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhH)(CH3)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhH)(CH3)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.0260	0.000	1	112.0260	0.000	1	112.0120	0.000	2	112.0120	0.000	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:3:4:4:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(OZn2)(CH3)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(OZn2)(CH3)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<4>,2|H<1>}	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-2:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.0025	0.564	2	114.0025	0.318	2	114.0025	0.318	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	111.2135	0.487	2	111.2135	0.237	2	111.2135	0.237	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	113.3020	0.000	1	112.1410	1.421	3	112.1410	1.421	3	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	112.2010	0.000	1	112.1410	1.421	3	112.1410	1.421	3	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Rh<6>,1|C<4>}	110.9200	0.000	1	112.1410	1.421	3	112.1410	1.421	3	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	113.0950	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	114.4360	3.557	10	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	111.8234	0.427	5	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	113.4050	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	111.7830	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	111.8280	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pt<4>,1|C<3>}	113.3170	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	110.7770	0.000	1	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	111.3395	1.208	2	113.0592	7.142	23	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.4595	0.286	2	111.4595	0.082	2	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Ni)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	111.7873	0.625	4	111.7873	0.390	4	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	113.5505	0.380	2	113.5330	0.073	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	113.4980	0.000	1	113.5330	0.073	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	112.5323	2.149	3	112.1428	3.685	4	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CCHH){2|C<4>}	110.9740	0.000	1	112.1428	3.685	4	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(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>}	106.8830	0.000	1	106.8830	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHH){1|O<1>}	112.6420	0.000	1	112.6420	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(N[5]C[5])(CCHH){1|H<1>,1|N<2>}	112.5665	1.070	2	112.5665	1.145	2	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	111.9390	0.000	1	111.9390	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	111.6062	1.047	6	111.6062	1.096	6	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]P)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]P)(N[5]C[5])(CCHH){1|Cu<4>,1|H<1>}	112.4760	0.000	1	112.4760	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(N[5]C[5])(CCHH){1|C<4>,1|H<1>}	112.9120	0.877	3	112.9120	0.769	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]S[5]S)(N[5]C[5])(CCHH){1|H<1>}	114.4080	0.000	1	114.4080	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	111.4070	0.000	1	110.8197	0.902	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	109.7240	0.000	1	110.8197	0.902	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	111.3280	0.000	1	110.8197	0.902	3	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	112.3037	0.592	26	112.2747	0.360	27	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Zn<6>}	111.5210	0.000	1	112.2747	0.360	27	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	109.1790	0.000	1	109.1790	0.000	1	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	111.8180	0.337	2	111.8180	0.113	2	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cd<6>,1|H<1>}	112.6925	1.076	2	112.6925	1.157	2	112.3394	3.090	87	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:S[5]-2:C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH){2|C<3>}	112.3800	0.451	2	112.3800	0.204	2	112.3800	0.204	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:	C(N[5]N[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH)	C(N[5]N[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CCHH){2|C<3>}	111.1545	1.518	2	111.1545	2.305	2	111.1545	2.305	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	N[5](C[5]N[5]Cu)(N[5]N[5])(CCHH){1|Cu<5>}	111.3810	0.626	2	111.3810	0.392	2	111.3810	0.392	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(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>}	111.2835	0.713	2	111.2835	0.509	2	111.2835	0.509	2	112.2837	2.817	103	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CN[5]ClH)(CClCC)(H)2	N[5](C[5]C[5,6a]O)2(CClCH)	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CN[5]ClH)(CClCC)(H)2	N[5](C[5]C[5,6a]O)2(CClCH){2|C<3>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	115.1180	0.567	2	115.1180	0.322	2	115.1180	0.322	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCFH)(H)2	C(CN[5]HH)(CCFH)(F)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCFH)(H)2	C(CN[5]HH)(CCFH)(F)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.9207	1.294	3	111.9207	1.674	3	111.9207	1.674	3	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5]S[5,5]N[5])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.7150	0.747	4	112.7150	0.558	4	112.7150	0.558	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.3460	0.000	1	113.6320	0.396	3	113.8194	0.398	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.2750	0.167	2	113.6320	0.396	3	113.8194	0.398	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.6190	0.000	1	114.6190	0.000	1	113.8194	0.398	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	113.5820	0.000	1	113.5820	0.000	1	113.8194	0.398	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	111.9195	0.892	4	111.6782	0.635	6	111.6782	0.635	6	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	111.1955	0.298	2	111.6782	0.635	6	111.6782	0.635	6	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){3|C<2>}	111.2670	0.000	1	111.2670	0.000	1	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	115.2650	0.000	1	115.2650	0.000	1	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.3935	0.681	2	112.3935	0.464	2	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.1068	0.345	4	112.7055	0.617	11	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.1337	1.093	3	112.7055	0.617	11	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.7330	0.773	4	112.7055	0.617	11	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.1393	1.241	4	112.0403	1.145	12	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.9909	1.063	8	112.0403	1.145	12	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.0110	1.331	4	112.5824	2.467	10	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	112.5900	0.000	1	112.5824	2.467	10	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	113.3612	2.037	4	112.5824	2.467	10	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	111.7450	0.000	1	112.5824	2.467	10	112.4699	1.490	37	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(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>}	111.5250	0.000	1	111.5250	0.000	1	112.7897	0.724	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(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>}	113.2113	0.141	3	113.2113	0.020	3	112.7897	0.724	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]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>}	111.6910	0.809	2	111.6910	0.654	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(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>}	109.8380	1.732	2	109.8380	3.001	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(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>}	112.5080	0.000	1	112.5080	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(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>}	113.6900	0.000	1	113.6900	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4020	0.000	1	112.4020	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(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>}	110.4100	0.000	1	110.4100	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCCH)(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>}	113.1210	0.000	1	113.1210	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.3690	0.000	1	111.3690	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0045	0.651	2	114.0270	3.349	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	116.0720	0.000	1	114.0270	3.349	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0470	0.240	3	112.9297	0.093	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.5780	0.000	1	112.9297	0.093	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4941	1.469	13	112.4941	2.159	13	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.4790	0.000	1	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	115.2190	0.000	1	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.9563	0.897	6	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.9358	1.001	13	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.4160	0.550	8	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.8860	0.000	1	113.1939	0.843	30	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	110.5565	2.500	2	110.9393	3.564	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.7050	0.000	1	110.9393	3.564	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.5680	0.944	3	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4085	0.322	2	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.0400	0.000	1	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.5440	0.539	3	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0290	0.000	1	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.0625	1.317	2	112.3623	1.151	12	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.1090	0.000	1	113.2567	0.538	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.2315	0.494	2	113.2567	0.538	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4550	0.000	1	113.2567	0.538	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.8900	0.000	1	113.8900	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.8012	0.729	51	111.8626	0.620	61	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.5240	0.000	1	111.8626	0.620	61	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.9718	1.270	5	111.8626	0.620	61	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.3360	0.000	1	111.8626	0.620	61	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.3450	0.263	3	111.8626	0.620	61	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0174	0.642	5	112.8842	0.436	6	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.2180	0.000	1	112.8842	0.436	6	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.6480	0.000	1	112.6480	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.2824	2.825	7	113.2824	7.981	7	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.6057	0.808	6	111.6741	0.522	8	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.8795	0.528	2	111.6741	0.522	8	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.8260	0.863	10	112.8260	0.746	10	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.6300	0.000	1	111.6300	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.5900	0.987	2	112.5900	0.974	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.1396	0.476	5	112.9094	0.943	9	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.6218	1.419	4	112.9094	0.943	9	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.0000	0.000	1	112.0000	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.4771	1.190	14	112.4771	1.417	14	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.9290	0.000	1	111.9290	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.3640	1.542	13	113.3640	2.378	13	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.9410	0.000	1	112.9410	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.6844	1.447	7	112.6844	2.094	7	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.5050	0.000	1	114.5050	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	112.6340	0.119	2	112.6340	0.014	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.2365	1.269	2	112.2365	1.611	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0628	1.256	6	113.0628	1.578	6	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.7520	0.000	1	112.9774	0.349	5	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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|O<2>,2|C<3>}	112.8910	0.000	1	112.9774	0.349	5	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.7480	0.562	3	112.9774	0.349	5	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.9260	0.137	2	112.9260	0.019	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	111.5810	2.456	2	112.0227	3.602	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.9060	0.000	1	112.0227	3.602	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.6070	0.593	2	112.8797	0.399	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.4250	0.000	1	112.8797	0.399	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.8700	0.116	2	112.5550	0.599	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.2400	1.178	2	112.5550	0.599	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|H<1>,3|C<3>}	113.7420	1.894	2	113.7420	3.586	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.9928	0.637	6	111.9928	0.406	6	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.2660	0.000	1	113.2660	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.4993	3.607	4	111.4993	13.009	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.7943	0.886	4	111.7943	0.785	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.5330	0.000	1	112.5330	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.6230	0.000	1	112.6230	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	112.2163	0.890	4	112.2163	0.792	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(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>}	112.8985	0.517	2	112.8985	0.267	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.5260	0.000	1	111.5260	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(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>}	114.1140	0.000	1	114.1140	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	110.9437	0.738	3	110.9437	0.545	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.1685	0.641	2	111.1685	0.411	2	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(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>}	111.6643	0.946	3	111.6643	0.894	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	111.6830	0.000	1	111.6830	0.000	1	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(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>}	111.9569	0.751	10	111.9569	0.564	10	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(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>}	114.8092	0.989	4	114.8092	0.978	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(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>}	116.3507	0.643	3	116.3507	0.414	3	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(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>}	115.5139	0.883	8	115.5139	0.780	8	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	111.9202	0.777	4	111.9202	0.603	4	112.5812	1.983	315	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9820	1.024	3	111.9820	1.049	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	115.3240	0.000	1	115.3240	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	118.4200	0.000	1	118.4200	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrCH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	109.3420	0.000	1	109.3420	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.5560	0.000	1	112.5560	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.8780	0.000	1	111.8780	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCFF)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCFF)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	112.5630	0.000	1	112.5630	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	114.7410	0.000	1	114.7410	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	111.7740	0.818	3	111.7740	0.669	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.1270	0.000	1	113.1270	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	111.4450	0.000	1	111.4450	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	112.0630	0.000	1	112.0630	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.6680	0.000	1	113.2060	0.256	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.3853	0.437	3	113.2060	0.256	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	111.9644	1.151	5	111.9644	1.325	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	111.3650	0.444	2	111.3650	0.197	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	115.1040	0.000	1	115.1040	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	113.4380	0.000	1	113.4380	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	112.0060	0.000	1	112.0060	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	112.6790	0.000	1	112.6790	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1444	1.089	30	113.0402	1.192	33	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|N<2>}	111.9977	0.277	3	113.0402	1.192	33	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	111.5625	5.363	2	111.5625	28.766	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	111.1300	0.000	1	111.1300	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	112.3920	0.416	2	112.3920	0.173	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	113.5480	0.646	2	113.5480	0.418	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH){1|Cl<1>,1|C<4>}	118.6770	9.277	2	118.6770	86.067	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.9290	1.205	21	112.2147	1.632	42	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	112.3587	1.691	9	112.2147	1.632	42	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ni<6>,1|H<1>}	112.0153	1.124	3	112.2147	1.632	42	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Rh<6>,1|C<4>}	112.4800	0.066	2	112.2147	1.632	42	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	112.8967	1.084	7	112.2147	1.632	42	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	111.1200	0.000	1	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	111.9894	0.597	12	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.3457	3.040	192	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	111.9425	0.839	2	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	113.2231	1.030	8	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<3>,1|H<1>}	111.6610	0.000	1	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	112.7425	0.536	4	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	113.4690	1.487	6	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>}	110.9950	0.000	1	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	111.9140	0.000	1	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	112.5452	0.942	6	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	111.9640	2.033	4	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	112.2409	2.141	60	112.3456	7.063	298	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	112.8858	2.660	4	112.8858	7.077	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	112.2330	2.125	4	112.9638	5.614	6	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	114.4255	2.849	2	112.9638	5.614	6	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	112.1120	0.000	1	112.1120	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	111.6863	0.197	3	111.6863	0.039	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	111.6340	0.404	2	112.1180	0.785	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.0860	0.000	1	112.1180	0.785	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	112.6430	0.602	3	112.1366	3.138	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	109.1520	0.000	1	112.1366	3.138	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	113.6020	0.000	1	112.1366	3.138	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.9045	0.289	2	112.9045	0.084	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	112.9115	0.146	2	112.9115	0.021	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	112.3750	0.000	1	112.3750	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	111.3590	0.000	1	111.3590	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	113.7980	1.377	2	113.2343	1.056	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|Br<1>}	112.6700	0.000	1	113.2343	1.056	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	112.6710	0.000	1	113.2343	1.056	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	111.4470	0.000	1	111.4470	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	110.8170	0.296	2	112.0498	2.515	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	113.2825	1.175	2	112.0498	2.515	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	112.0270	2.172	2	112.0270	4.719	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.4910	0.000	1	113.4910	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.3460	0.000	1	113.0493	0.583	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.1820	0.000	1	113.0493	0.583	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	113.6200	0.000	1	113.0493	0.583	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	112.7680	0.000	1	112.7680	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.6675	0.151	2	112.6675	0.023	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.1360	0.184	2	113.1360	0.034	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5170	0.769	3	112.5170	0.591	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.8510	0.000	1	111.4785	0.278	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.1060	0.000	1	111.4785	0.278	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(C[5]N[5]S)(CCHH){1|Co<6>,1|C<4>}	115.0770	0.000	1	115.0770	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.8604	1.693	16	112.6808	2.598	46	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.5814	1.616	29	112.6808	2.598	46	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	112.6910	0.000	1	112.6808	2.598	46	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.4526	1.318	9	113.3195	1.490	11	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.7205	0.339	2	113.3195	1.490	11	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.1529	3.254	9	112.7474	3.103	45	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.6682	1.205	35	112.7474	3.103	45	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>}	111.8710	0.000	1	112.7474	3.103	45	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<3>}	112.3780	0.000	1	112.0900	0.166	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	111.8020	0.000	1	112.0900	0.166	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.1292	0.884	4	112.4338	2.537	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.6368	1.993	6	112.4338	2.537	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	113.3740	0.332	2	113.3740	0.110	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5270	1.386	3	112.5476	0.588	21	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.5510	0.682	18	112.5476	0.588	21	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9082	1.526	16	111.6645	2.034	28	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.3396	1.272	12	111.6645	2.034	28	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.3280	1.343	7	112.3280	1.805	7	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.2360	1.022	2	112.2360	1.045	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.7350	1.250	5	111.7350	1.562	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.9890	0.000	1	110.9890	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.7480	0.864	2	112.7480	0.747	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[4,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[4,5,6]O)2(CCHH){2|C<3>,2|C<4>}	113.4110	0.000	1	113.4110	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	112.8425	0.541	2	112.8425	0.293	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,5a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	113.3710	0.000	1	113.3710	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.9498	1.039	5	112.9498	1.080	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.2877	3.334	3	111.3645	7.433	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Cu<5>,1|H<1>}	111.5950	0.000	1	111.3645	7.433	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.6953	5.317	21	113.4365	25.087	24	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	111.6250	0.449	3	113.4365	25.087	24	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	112.4510	0.000	1	112.4510	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.7177	0.778	4	112.7177	0.605	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	111.7170	0.000	1	111.7170	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	112.5175	0.073	2	112.4927	0.005	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){2|C<3>}	112.4430	0.000	1	112.4927	0.005	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	114.6310	0.000	1	113.4677	1.186	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	112.8860	0.584	2	113.4677	1.186	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	111.8367	1.123	3	111.8367	1.261	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]O[5]S)(CCHH){1|C<3>,1|N<2>}	112.2060	0.000	1	112.2060	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH){1|C<3>,1|N<3>}	112.5720	0.000	1	112.5720	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0340	0.000	1	112.0340	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHI)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHI)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.8060	0.000	1	112.8060	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.8350	0.458	3	112.8350	0.210	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.5260	0.699	3	111.1258	0.529	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	110.7400	0.000	2	111.1258	0.529	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	110.8087	0.880	3	111.1258	0.529	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<5>,1|H<1>}	112.0210	0.000	1	111.1258	0.529	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	111.0512	0.781	5	111.1258	0.529	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	114.0100	0.000	1	114.0100	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	115.0310	0.000	2	115.0310	0.000	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.8650	0.000	1	112.8650	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5435	0.450	2	112.9353	2.473	7	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.0920	1.884	5	112.9353	2.473	7	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.9704	1.368	8	111.9704	1.870	8	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1450	0.833	5	113.1450	0.693	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.6625	0.049	2	112.2362	0.565	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	112.8100	0.612	2	112.2362	0.565	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.7780	0.973	2	113.2433	1.123	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	114.1740	0.000	1	113.2433	1.123	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.0290	0.000	1	111.0290	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.8585	0.146	2	112.8585	0.021	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	112.0263	1.975	3	111.7300	2.211	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.2855	0.622	2	111.7300	2.211	5	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5880	0.000	1	112.5880	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.7013	0.918	3	111.7013	0.842	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.3840	0.000	1	111.3840	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.3370	0.000	1	111.3370	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CIrCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.2720	0.000	1	110.2720	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.4860	0.000	1	113.4860	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	112.9420	0.000	1	112.6181	1.202	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	113.6343	0.103	3	112.6181	1.202	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	111.3310	0.000	2	112.6181	1.202	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Hg<4>,1|H<1>}	112.9200	0.000	1	112.6181	1.202	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	112.2513	1.376	3	112.6181	1.202	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNiCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNiCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	108.8677	0.383	3	108.8677	0.147	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CReCH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CReCH)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.3850	0.000	1	111.3850	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.5000	0.000	1	111.5000	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.9180	0.000	1	112.9180	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.4395	0.878	2	112.4395	0.770	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.3510	0.000	1	112.3510	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSn2H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSn2H)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	111.9300	0.000	1	111.9300	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5,5,6]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.3020	0.287	2	108.3020	0.082	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	114.7430	0.000	1	114.7430	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	114.9160	0.190	2	114.9160	0.036	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	114.2580	0.263	2	114.2580	0.069	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	112.2523	1.867	4	112.2523	3.486	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	110.9640	0.075	2	111.9363	2.188	16	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.8353	1.584	10	111.9363	2.188	16	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	111.8515	1.165	2	111.9363	2.188	16	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	113.4985	1.409	2	111.9363	2.188	16	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	112.0132	1.648	6	112.0132	2.716	6	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.4161	0.539	7	112.4161	0.290	7	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.7070	3.924	2	112.7070	15.401	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.4450	1.652	2	112.4450	2.728	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.2800	0.867	2	110.2800	0.752	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	109.9663	0.419	4	109.9663	0.176	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH){1|C<2>,1|C<4>}	115.0250	1.032	2	115.0250	1.066	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	114.0450	0.477	2	112.1070	7.508	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.7840	2.838	12	112.1070	7.508	14	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pd)(C[5]N[5]H)(CCHH){1|C<4>}	113.3290	1.373	10	113.3290	1.884	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	115.8356	0.607	10	115.8356	0.368	10	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	109.8595	0.775	4	109.8595	0.601	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.3815	3.255	4	112.3815	10.598	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Rh)(C[5]N[5]H)(CCHH){1|C<3>}	115.3280	0.143	2	115.3280	0.020	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.9718	0.585	4	110.9718	0.343	4	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.4115	1.694	2	113.4115	2.868	2	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1586	0.901	8	113.1586	0.812	8	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.2750	0.000	1	111.6560	0.301	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	111.8465	0.620	2	111.6560	0.301	3	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.9280	0.000	1	111.9280	0.000	1	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.4460	0.000	1	112.0683	1.054	13	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	112.0368	1.066	12	112.0683	1.054	13	112.4699	4.802	916	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	113.5830	0.345	2	113.5830	0.119	2	112.9875	0.602	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	112.7590	0.000	1	112.7590	0.000	1	112.9875	0.602	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]Pd)(N[5]C[5,6a]C)(CCHH){2|C<3>}	112.0250	0.000	1	112.0250	0.000	1	112.9875	0.602	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	113.3024	0.837	13	113.3024	0.701	13	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	113.3571	0.934	8	113.3571	0.873	8	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	113.5190	1.289	5	113.5190	1.662	5	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.6790	0.000	1	110.6790	0.000	1	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.5200	0.000	1	112.5200	0.000	1	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.2295	0.577	4	112.2295	0.333	4	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	112.0345	2.056	2	112.0345	4.225	2	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.3755	0.675	2	112.3755	0.456	2	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.7495	2.312	2	112.7495	5.343	2	112.9707	1.247	39	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(H)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(H)(O)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.4835	0.064	2	113.4835	0.004	2	113.4835	0.004	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Cu<4>,2|C<3>}	114.0480	1.194	2	114.0480	1.425	2	114.0480	1.425	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(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>}	114.7490	0.751	4	114.7490	0.563	4	114.5700	0.583	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,2|C<3>}	113.8540	0.000	1	113.8540	0.000	1	114.5700	0.583	5	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH)	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCC)(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>}	112.2190	3.420	4	112.2190	11.694	4	112.2190	11.694	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	113.1290	0.000	1	113.1290	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.9900	0.000	1	112.9900	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCCH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.7490	0.000	1	112.7490	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.8640	0.000	1	113.8640	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	109.4870	0.000	1	109.4870	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	113.8727	0.471	3	113.8727	0.222	3	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.7095	2.314	12	111.7095	5.356	12	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCrCC)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCrCC)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.5120	0.000	1	112.1233	4.509	3	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	111.4290	2.475	2	112.1233	4.509	3	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NLiCH)(H)2	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NLiCH)(H)2	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.7650	0.231	2	111.7650	0.053	2	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NMnCC)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NMnCC)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.9927	3.117	12	112.9927	9.716	12	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	109.2560	0.000	1	109.2560	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.9940	2.131	2	112.9940	4.542	2	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	109.4350	0.000	1	109.4350	0.000	1	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.3495	1.681	2	110.3495	2.825	2	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.9077	1.739	3	112.9077	3.023	3	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.8095	0.838	2	110.8095	0.702	2	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.1115	0.573	2	110.1115	0.329	2	112.1221	5.182	51	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	112.8476	2.727	14	112.8476	7.438	14	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCH)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCH)(H)2	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.8890	0.047	2	113.8890	0.002	2	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	115.1355	0.678	2	115.1355	0.460	2	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.5860	1.328	2	113.5860	1.763	2	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	110.0430	0.000	1	110.0430	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.2373	0.949	14	111.2373	0.901	14	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdHH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdHH)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.1370	0.000	1	111.1370	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPtHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPtHH)(H)2	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){2|H<1>}	109.8030	0.000	1	109.8030	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.5500	1.128	3	112.5500	1.272	3	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCH)(H)2	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.9728	1.241	5	111.9728	1.540	5	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>}	114.5230	0.000	1	114.5230	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZn2C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZn2C)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.5393	1.244	3	112.5393	1.548	3	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCC)(H)2	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCC)(H)2	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>}	112.7000	0.000	1	112.7000	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.1780	0.000	1	113.1780	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnHH)(H)2	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.6990	0.000	1	112.6990	0.000	1	112.3389	3.655	52	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi3)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi3)(H)2	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	114.7280	0.078	2	114.7280	0.006	2	114.7280	0.006	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PNiCC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PNiCC)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.0588	0.218	4	110.0588	0.047	4	110.0588	0.047	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.0390	1.670	2	112.0390	2.790	2	112.0390	2.790	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(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>}	112.6080	0.000	1	112.6080	0.000	1	112.3705	0.113	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(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>}	112.1330	0.000	1	112.1330	0.000	1	112.3705	0.113	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.3170	0.000	1	113.3170	0.000	1	112.8956	2.175	12	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>}	112.2020	0.000	1	112.2020	0.000	1	112.8956	2.175	12	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SFOO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SFOO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	109.6420	0.000	1	109.6420	0.000	1	112.8956	2.175	12	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNOO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNOO)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.2873	1.188	9	113.2873	1.413	9	112.8956	2.175	12	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.9805	1.211	4	111.9805	1.465	4	111.9805	1.465	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CSiHH)(H)2	C(CN[5]HH)(SiC3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CSiHH)(H)2	C(CN[5]HH)(SiC3)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.9605	0.547	4	112.9605	0.299	4	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	111.9070	0.000	1	111.9070	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	111.0090	0.000	1	111.0090	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.3630	0.000	1	110.3630	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	125.2120	0.000	1	125.2120	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.4750	0.000	1	110.4750	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	111.8910	0.000	1	111.8910	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.9390	0.000	1	113.9390	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	114.1830	0.000	1	114.1830	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	115.0370	0.000	1	115.0370	0.000	1	113.5275	14.381	13	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH){2|H<1>}	112.9490	0.000	1	112.9490	0.000	1	113.5920	0.827	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	114.2350	0.000	1	114.2350	0.000	1	113.5920	0.827	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	112.9520	0.000	1	112.9520	0.000	1	111.2925	1.306	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	110.5645	0.252	2	110.5645	0.064	2	111.2925	1.306	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.0890	0.000	1	111.0890	0.000	1	111.2925	1.306	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(NC[6a]RuH)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(NC[6a]RuH)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	114.0830	0.000	1	114.0830	0.000	1	114.0830	0.000	1	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2H)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2H)(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>}	113.1785	3.224	2	113.1785	10.392	2	113.1785	10.392	2	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2C)(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>}	108.8740	0.000	1	108.8740	0.000	1	109.2503	0.179	3	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2H)(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>}	109.4385	0.381	2	109.4385	0.145	2	109.2503	0.179	3	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:	C(N[5]C[5,6]N[5])(CHHP)(H)2	C(PC[6a]2Pt)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH)	C(N[5]C[5,6]N[5])(CHHP)(H)2	C(PC[6a]2Pt)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH){2|H<1>,3|C<4>}	111.2365	1.476	4	111.2365	2.179	4	111.2365	2.179	4	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6]2Ir)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6]2Ir)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){2|C<3>,2|H<1>}	111.5535	4.023	2	111.5535	16.182	2	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,2|C<3>}	112.3520	0.000	1	112.3520	0.000	1	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(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>}	109.1805	0.271	2	109.1805	0.073	2	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(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>}	110.8980	0.298	2	112.3039	2.265	12	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(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>}	110.8230	0.416	2	112.3039	2.265	12	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	112.2830	0.000	1	112.3039	2.265	12	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	113.1317	1.386	7	112.3039	2.265	12	111.8510	3.645	17	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Fe)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Fe)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.3760	2.018	2	112.3760	4.073	2	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	113.7997	2.198	6	113.1012	5.168	8	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ir<7>,1|C<4>}	111.0060	0.553	2	113.1012	5.168	8	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.7820	0.286	2	111.7820	0.082	2	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]C[5]Ir)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.3070	0.000	1	112.3070	0.000	1	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.0184	1.253	5	110.0184	1.570	5	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.2100	0.000	1	110.9590	1.076	5	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.1463	1.096	4	110.9590	1.076	5	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	109.4760	0.000	1	111.2177	0.967	7	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.5080	0.672	6	111.2177	0.967	7	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](C[5]C[5]Ru)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	113.4540	0.000	1	113.4540	0.000	1	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.6875	2.443	2	112.6875	5.969	2	111.7477	3.224	33	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.3890	0.955	4	111.3890	0.911	4	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	112.2430	0.269	2	112.2430	0.072	2	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Os)(CN[5]HH)(H)2	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Os)(CN[5]HH)(H)2	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH){2|H<1>}	111.4935	0.416	8	111.4935	0.173	8	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.6560	0.453	2	112.6560	0.205	2	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	112.5253	0.455	3	112.5253	0.207	3	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	113.0350	0.000	1	113.0350	0.000	1	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	113.0640	0.429	2	113.0640	0.184	2	112.0019	0.643	22	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]OO)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]OO)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.7830	0.000	1	113.7830	0.000	1	113.7830	0.000	1	112.4772	3.942	1582	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	113.2710	1.293	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(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>}	113.9400	0.000	1	113.9400	0.000	1	113.9400	0.000	1	113.2710	1.293	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	114.3270	0.000	1	114.3270	0.000	1	113.0460	3.282	2	113.2710	1.293	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	111.7650	0.000	1	111.7650	0.000	1	113.0460	3.282	2	113.2710	1.293	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.4123	1.306	4	113.4123	1.707	4	112.9596	2.305	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	111.1490	0.000	1	111.1490	0.000	1	112.9596	2.305	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.8398	0.590	5	114.8398	0.348	5	114.4566	0.661	7	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CClHH)(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>}	113.5490	0.000	1	113.5490	0.000	1	114.4566	0.661	7	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	113.4480	0.000	1	113.4480	0.000	1	114.4566	0.661	7	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	111.8275	0.087	2	111.8275	0.008	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	114.5520	0.000	1	114.5520	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	114.7030	0.000	1	114.7030	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	114.0370	0.000	1	113.3410	0.969	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.6450	0.000	1	113.3410	0.969	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>}	112.9870	0.000	1	112.9870	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|O<1>}	113.0510	0.000	1	113.3945	0.236	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){2|H<1>}	113.7380	0.000	1	113.3945	0.236	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,2|H<1>}	113.1980	0.000	1	113.1980	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	113.9780	1.072	4	113.9780	1.150	4	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	114.4050	0.000	1	114.4050	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]ReH)(C[5]N[5]H)(CCHH){1|Re<7>,1|H<1>}	113.4780	0.000	1	113.4780	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	114.2260	0.000	1	114.2260	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){3|C<3>}	113.5500	0.000	1	113.5500	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.8080	0.000	1	112.8080	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	112.9370	0.007	2	112.9370	0.000	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(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>}	114.1210	0.000	1	114.1210	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	113.2780	0.000	1	113.2780	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	114.3040	0.000	1	114.3040	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH){1|C<3>}	112.7310	0.000	1	112.7310	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	113.9785	0.523	2	113.9785	0.273	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	112.2530	0.000	1	112.2530	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	112.4256	2.013	9	112.4256	4.053	9	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.4116	0.909	5	112.6077	0.672	7	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	113.0980	0.231	2	112.6077	0.672	7	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.9010	0.000	1	112.9010	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	112.4830	0.147	2	112.4830	0.022	2	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	113.4730	0.000	1	113.4730	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(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>}	113.5130	0.000	1	113.5130	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	113.0520	0.000	1	113.0520	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	113.1280	0.000	1	113.1280	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	112.2200	0.000	1	112.2200	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	111.0580	0.000	1	111.0580	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){2|C<3>,2|H<1>}	112.9300	0.000	1	112.9300	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	112.9062	1.057	6	112.9062	1.117	6	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(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>}	112.3040	0.000	1	112.3040	0.000	1	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	112.3885	0.850	6	112.3885	0.723	6	112.9681	1.286	67	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	Ga[5,5]-4:C[5]-3:C-4:	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.2597	0.732	3	113.2597	0.535	3	113.2597	0.535	3	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	113.5114	1.094	5	113.5114	1.197	5	113.5114	1.197	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[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>}	114.9480	0.000	1	114.9480	0.000	1	114.9480	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[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>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	N[5,5]-4:C[5]-3:C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]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>}	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[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>}	115.2365	1.479	2	116.5350	5.076	4	116.9764	4.781	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[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>}	117.8335	2.510	2	116.5350	5.076	4	116.9764	4.781	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]O)(CN[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>}	118.7420	0.000	1	118.7420	0.000	1	116.9764	4.781	5	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]PtC)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]PtC)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH){1|C<4>,2|H<1>}	111.9970	0.238	2	111.9970	0.056	2	111.9970	0.056	2	113.4377	2.568	100	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.1000	0.000	1	112.1000	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CC3)(OB)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CC3)(OB)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.9800	0.000	1	112.9800	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(OH)(H)	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(OH)(H)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	111.5800	0.000	1	111.5800	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.0060	0.000	1	113.0060	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<5>}	110.8440	0.000	1	110.8440	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CH3)(OH)(H)	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CH3)(OH)(H)	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH){1|H<1>}	113.1070	0.000	1	113.1070	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.4470	0.000	1	112.4470	0.000	1	112.2949	0.719	7	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OH)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	116.5745	0.692	2	116.5745	0.479	2	116.5745	0.479	2	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:Se-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CSeCH)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CSeCH)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	114.1530	0.808	2	114.1530	0.652	2	114.1530	0.652	2	113.4108	3.528	11	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	115.1955	0.629	2	115.1955	0.395	2	115.1955	0.395	2	115.1955	0.395	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1383	0.815	3	113.1383	0.665	3	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	113.1448	1.416	4	113.1448	2.004	4	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.8570	1.853	2	112.8570	3.432	2	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCCH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCCH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	110.8680	0.000	1	110.8680	0.000	1	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	114.2700	0.000	1	114.2700	0.000	1	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	N[5](C[5]C[5]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	114.4310	0.000	1	114.4310	0.000	1	113.1064	1.730	12	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OCu2)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OCu2)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	111.2025	0.909	2	111.2025	0.826	2	111.9682	1.060	4	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OZn2)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	112.7340	0.096	2	112.7340	0.009	2	111.9682	1.060	4	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(CCCH)(SRhC)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(CCCH)(SRhC)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH){2|C<3>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	112.7435	1.735	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:Ge[5]-2:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH){1|C<3>,1|C<4>}	114.7818	0.569	6	114.7818	0.324	6	114.7818	0.324	6	113.5378	2.398	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Fe<6>}	112.3496	1.027	9	112.3496	1.055	9	112.3496	1.055	9	113.5378	2.398	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	115.1525	1.047	2	115.1525	1.097	2	115.1525	1.097	2	113.5378	2.398	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-3:C-4:	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	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>}	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	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>}	115.1090	0.000	1	115.1090	0.000	1	113.3344	1.219	7	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	112.4015	0.074	2	112.4015	0.006	2	113.3344	1.219	7	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	113.3572	0.898	4	113.3572	0.806	4	113.3344	1.219	7	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	114.0230	0.448	2	114.0230	0.201	2	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	114.8085	2.890	2	114.8085	8.352	2	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	111.6700	0.694	2	111.6700	0.482	2	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	115.0790	0.000	1	115.0790	0.000	1	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.6470	0.000	1	112.6470	0.000	1	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	112.5218	1.091	6	112.5218	1.191	6	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]C)2(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]C)2(CCHH){1|H<1>}	113.9600	0.000	1	113.9600	0.000	1	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	115.0867	1.028	4	115.0867	1.056	4	113.5877	2.663	19	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	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>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	113.4555	2.032	29	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	114.1028	0.723	4	114.1028	0.522	4	114.1788	0.420	5	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){1|C<3>,1|H<1>}	114.4830	0.000	1	114.4830	0.000	1	114.1788	0.420	5	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	113.5755	0.330	2	113.5755	0.109	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	113.5730	0.146	2	113.5730	0.021	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	113.4825	0.199	2	113.4825	0.039	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.3605	0.976	4	114.3605	0.954	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.2062	1.840	5	115.2062	3.385	5	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.6540	0.295	4	114.6540	0.087	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.3205	0.749	2	115.3205	0.561	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.7518	1.790	12	114.7518	3.204	12	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.2180	0.894	4	114.2180	0.800	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.5410	0.355	2	115.5410	0.126	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.2130	1.629	2	115.2130	2.654	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	113.6380	0.706	6	113.6380	0.499	6	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	113.8340	0.768	6	113.8340	0.589	6	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.3951	1.340	16	115.3951	1.796	16	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.6852	0.729	6	114.6852	0.532	6	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.4940	0.813	2	114.4940	0.661	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	113.9595	0.845	2	113.9595	0.714	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.1540	0.334	2	115.1540	0.111	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.4410	0.718	4	114.4410	0.515	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.3158	0.572	4	115.3158	0.327	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.8570	0.820	2	114.8570	0.673	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	114.4553	1.729	10	114.4553	2.989	10	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	115.7260	2.121	4	115.7260	4.500	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	114.0540	0.386	2	114.0540	0.149	2	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	113.9237	1.254	4	113.9237	1.573	4	114.6475	1.695	111	114.6273	1.645	116	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	115.1725	0.204	2	115.1725	0.042	2	115.4673	0.874	8	115.4673	0.874	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	114.6685	0.743	2	114.6685	0.552	2	115.4673	0.874	8	115.4673	0.874	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	115.2240	0.560	2	115.2240	0.314	2	115.4673	0.874	8	115.4673	0.874	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[4,5]-5:C[5]-3:C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	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>}	116.8040	0.256	2	116.8040	0.066	2	115.4673	0.874	8	115.4673	0.874	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	P[3x5]-5:C[5]-4:C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	114.2802	2.561	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){1|Cu<6>,1|H<1>}	115.0405	0.425	2	115.0405	0.181	2	115.0405	0.181	2	114.2802	2.561	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH)	C(N[5]C[5]N[5])(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	N[5](C[5]N[5]H)(N[5]C[5])(CCHH){2|H<1>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	114.2802	2.561	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	115.1085	0.415	2	115.1085	0.172	2	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	112.9055	0.274	2	112.9055	0.075	2	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	113.9660	0.000	1	113.9660	0.000	1	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	113.6443	0.266	3	113.6443	0.071	3	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	115.0840	0.000	1	115.0840	0.000	1	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OPd)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OPd)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.5190	0.000	1	111.5190	0.000	1	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(ORh)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(ORh)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	110.7500	0.000	1	110.7500	0.000	1	113.4800	2.054	11	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	113.5992	0.953	6	113.5992	0.909	6	113.5992	0.909	6	113.5221	1.571	17	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OZn)	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OZn)	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<3>,2|H<1>}	115.2445	0.054	2	115.2445	0.003	2	115.2445	0.003	2	115.4560	0.136	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	115.4560	0.136	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:3:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC3)(H)2	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	N[5](C[5]C[5,6a]O)2(CCHH)	C(N[5]C[5]2)(CC3)(H)2	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	113.6000	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Ge[5]-2:C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	116.0716	0.712	5	116.0716	0.507	5	116.0716	0.507	5	116.0716	0.507	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	114.8260	0.000	1	114.6690	0.049	2	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	114.5120	0.000	1	114.6690	0.049	2	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	115.1696	0.921	5	115.2640	0.565	11	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	115.5130	0.000	1	115.2640	0.565	11	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	115.3086	0.733	5	115.2640	0.565	11	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	116.0760	0.000	1	116.0760	0.000	1	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	115.0890	0.000	1	115.0890	0.000	1	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)2(CBrHH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)2(CBrHH)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>}	117.7682	0.703	4	117.7682	0.494	4	115.7621	1.609	19	115.7621	1.609	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	116.6750	0.000	1	116.6750	0.000	1	116.6750	0.000	1	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Ge[5]-4:C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	116.6338	0.695	8	116.6338	0.484	8	116.6338	0.484	8	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	117.3070	0.346	6	117.3070	0.120	6	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	118.2938	0.340	4	118.2938	0.116	4	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	118.1543	0.764	3	118.1604	0.293	5	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	118.1695	0.069	2	118.1604	0.293	5	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	117.9335	0.132	2	117.9335	0.017	2	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	118.1465	0.429	2	118.1465	0.184	2	117.8936	0.306	19	117.4901	0.686	28	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:5:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-5:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	118.9470	0.622	2	118.9470	0.387	2	118.9470	0.387	2	118.9470	0.387	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C(N[5]B[5]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	116.5965	1.276	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	116.1340	0.214	2	116.1340	0.046	2	116.1340	0.046	2	116.5965	1.276	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	Si[3x5]-4:C[5,6a]-3:C-4:	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	116.5965	1.276	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6]-4:P[5]-4:C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:2:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:2:1:	4:2:1:1:	3:2:4:	N[5]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	N[5](C[5]N[5]C)(N[5]N[5])(CCHO){1|Ru<8>}	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:2:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:3:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(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>}	109.6570	0.000	1	109.6570	0.000	1	111.9205	10.247	2	111.9205	10.247	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:3:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(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>}	114.1840	0.000	1	114.1840	0.000	1	111.9205	10.247	2	111.9205	10.247	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.3720	0.338	2	111.3720	0.114	2	111.3720	0.114	2	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	111.7260	0.000	1	111.7260	0.000	1	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,5,6]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	112.2130	0.293	2	112.2130	0.086	2	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	113.1440	0.000	1	113.1440	0.000	1	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.6732	0.864	4	111.6732	0.747	4	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	112.5390	0.000	1	112.5390	0.000	1	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	112.9825	0.182	2	112.9825	0.033	2	112.2266	0.592	11	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CN[5]CH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CN[5]CH)(H)2	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>}	111.2965	0.906	6	111.2965	0.821	6	111.2965	0.821	6	111.8691	0.750	20	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	112.7117	0.543	7	112.7117	0.295	7	112.6169	0.325	8	112.6169	0.325	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	111.9530	0.000	1	111.9530	0.000	1	112.6169	0.325	8	112.6169	0.325	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:2:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:3:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.0440	0.023	3	111.0440	0.001	3	111.0440	0.001	3	111.0440	0.001	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.9410	0.000	1	112.9410	0.000	1	113.4100	0.165	3	113.2493	0.213	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.6445	0.001	2	113.6445	0.000	2	113.4100	0.165	3	113.2493	0.213	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	3:4:4:1:	3:3:4:	N[5]-3:C-4:O-3:H-1:	N[5]-3:C-4:O-4:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	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)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	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>}	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	113.2493	0.213	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C(CN[5]CH)(H)3	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>}	113.4060	0.412	2	113.4060	0.169	2	113.4060	0.169	2	112.6049	0.368	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(CHH)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)(CHH)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	112.3680	0.549	2	112.3680	0.301	2	112.3378	0.139	6	112.6049	0.368	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.3400	0.439	3	112.3400	0.193	3	112.3378	0.139	6	112.6049	0.368	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	112.2710	0.000	1	112.2710	0.000	1	112.3378	0.139	6	112.6049	0.368	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	111.9930	0.000	1	111.7330	0.135	2	111.7330	0.135	2	111.7330	0.135	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	111.4730	0.000	1	111.7330	0.135	2	111.7330	0.135	2	111.7330	0.135	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	114.0360	0.000	1	114.0360	0.000	1	113.5650	0.444	2	113.5650	0.444	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	113.0940	0.000	1	113.0940	0.000	1	113.5650	0.444	2	113.5650	0.444	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)(CCH)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(N[5]C[5]2)(CH3)(CCH)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	112.0835	0.950	2	112.0835	0.902	2	112.0835	0.902	2	111.2243	2.665	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	111.2243	2.665	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(COO)(H)	C(CN[5]CH)(SC)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CHHS)(COO)(H)	C(CN[5]CH)(SC)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:2:4:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CN[5]CH)(SC[6])(CH3)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CN[5]CH)(SC[6])(CH3)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	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>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	111.9308	1.529	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.1050	0.000	1	112.1050	0.000	1	111.3788	0.675	6	111.9308	1.529	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	109.8320	0.000	1	111.2336	0.685	5	111.3788	0.675	6	111.9308	1.529	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	111.5840	0.309	4	111.2336	0.685	5	111.3788	0.675	6	111.9308	1.529	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHN)	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	111.9308	1.529	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(CNO)(H)	C(CN[5]CH)(NCH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CHHN)(CNO)(H)	C(CN[5]CH)(NCH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:3:2:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	109.9750	0.888	2	109.9750	0.789	2	109.9750	0.789	2	109.9750	0.789	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:F-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(F)	C(CN[5]CF)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCF)	C(N[5]C[5]2)(CCHH)(COO)(F)	C(CN[5]CF)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCF){2|C<3>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6]O)2(CCCH){2|C<4>,2|H<1>}	115.7170	0.000	1	115.7170	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.3800	0.000	1	114.3800	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.1940	0.000	1	113.1940	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	112.8450	0.000	1	112.8450	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	112.8070	0.000	1	112.8070	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.8495	0.322	2	112.8495	0.104	2	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	112.1340	0.000	1	112.1340	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.1860	0.000	1	112.1860	0.000	1	113.2180	1.315	9	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.4310	0.000	1	113.4310	0.000	1	113.8183	0.208	3	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.7030	0.000	1	113.7030	0.000	1	113.8183	0.208	3	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.3210	0.000	1	114.3210	0.000	1	113.8183	0.208	3	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(CNO)(H)	C(SC[6a]OO)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CHHS)(CNO)(H)	C(SC[6a]OO)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.7710	0.000	1	113.7710	0.000	1	113.7710	0.000	1	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	N[5](C[5]C[5]O)2(CCHN)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	N[5](C[5]C[5]O)2(CCHN){4|H<1>}	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CN[5]HO)(CH3)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CN[5]HO)(CH3)(H)2	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Cl<1>,1|C<4>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	113.3360	1.294	16	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	111.1830	0.000	1	111.1830	0.000	1	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	111.8040	0.000	1	112.3884	0.523	23	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	112.1540	0.873	2	112.3884	0.523	23	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	112.4410	0.734	20	112.3884	0.523	23	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	112.2730	0.000	1	112.2730	0.000	1	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	111.8700	0.000	1	111.8700	0.000	1	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	113.0217	1.036	3	113.0217	1.072	3	112.3905	0.592	29	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	112.5371	1.217	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.0815	0.786	2	112.0815	0.617	2	112.2305	0.250	4	112.2305	0.250	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CN[5]CH)(CCCH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CN[5]CH)(CCCH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.3795	0.210	2	112.3795	0.044	2	112.2305	0.250	4	112.2305	0.250	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:2:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CN[5]CH)(CH3)(OH)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CN[5]CH)(CH3)(OH)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	114.1850	0.670	2	114.1850	0.449	2	114.1850	0.449	2	114.1850	0.449	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:3:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	112.7555	0.578	2	112.7555	0.334	2	112.7555	0.334	2	112.7555	0.334	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:3:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	112.8640	0.000	1	112.8640	0.000	1	112.8685	0.000	2	112.8685	0.000	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:3:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8685	0.000	2	112.8685	0.000	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:2:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:S[5]-2:C-4:	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	115.6645	0.309	2	115.6645	0.095	2	115.6645	0.095	2	115.6645	0.095	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(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>}	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	113.0138	3.723	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CSiHH)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CSiHH)(CCHH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	113.6790	0.758	2	113.6790	0.575	2	113.0626	4.636	5	113.0138	3.723	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.0750	0.000	1	114.0750	0.000	1	113.0626	4.636	5	113.0138	3.723	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.3260	0.000	1	109.3260	0.000	1	113.0626	4.636	5	113.0138	3.723	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.5540	0.000	1	114.5540	0.000	1	113.0626	4.636	5	113.0138	3.723	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	113.7040	1.138	2	113.7040	1.296	2	113.7040	1.296	2	112.6980	3.684	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CN[5]CH)(CCHH)(SiC3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CN[5]CH)(CCHH)(SiC3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	112.6980	3.684	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.0375	0.118	2	111.0375	0.014	2	113.0414	4.119	5	113.0414	4.119	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:3:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC3)(COO)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC3)(COO)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.3773	1.240	3	114.3773	1.538	3	113.0414	4.119	5	113.0414	4.119	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:3:4:3:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	108.4377	0.284	3	108.4377	0.081	3	109.2656	1.345	5	109.2656	1.345	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:3:4:3:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	110.5075	0.281	2	110.5075	0.079	2	109.2656	1.345	5	109.2656	1.345	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	2:2:4:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	108.0620	0.000	1	108.0620	0.000	1	109.3190	3.160	2	109.3190	3.160	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	2:2:4:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	110.5760	0.000	1	110.5760	0.000	1	109.3190	3.160	2	109.3190	3.160	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	109.3937	0.161	3	109.3937	0.026	3	109.3937	0.026	3	109.3937	0.026	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH){1|C<4>}	111.2425	1.244	2	111.2425	1.547	2	110.2262	1.982	4	110.2262	1.982	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.2100	0.519	2	109.2100	0.269	2	110.2262	1.982	4	110.2262	1.982	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:1:1:	4:3:4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH)	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH){2|C<3>}	105.4970	0.000	1	105.4970	0.000	1	105.4970	0.000	1	105.4970	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:2:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:2:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(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>}	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	3:4:3:1:	3:3:4:	N[5]-3:C-4:O-4:H-1:	N[5]-3:C-4:O-3:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	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)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	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>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-2:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	110.3125	0.272	2	110.3125	0.074	2	110.3125	0.074	2	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	110.0725	0.441	4	110.0725	0.194	4	110.0725	0.194	4	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	111.8795	1.178	6	111.8795	1.388	6	111.4509	1.676	8	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]N[5])(CCCH){1|P<3>,2|C<3>}	110.1650	0.621	2	110.1650	0.385	2	111.4509	1.676	8	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	108.5685	1.009	2	108.5685	1.018	2	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Mn)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	109.1662	0.661	4	109.1662	0.437	4	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Ru)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	110.3895	1.244	2	110.3895	1.547	2	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(N[5]O[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(N[5]O[5])(CCCH){1|N<2>}	109.1481	1.356	8	109.1481	1.839	8	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	109.9435	0.592	2	109.9435	0.350	2	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CCCH){1|C<3>,1|H<1>}	109.2788	0.271	6	109.2788	0.074	6	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	109.9645	0.233	2	109.9645	0.054	2	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>,1|H<1>}	109.8454	1.450	35	109.8609	2.000	37	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CCCH){1|C<4>}	110.1315	0.585	2	109.8609	2.000	37	109.6525	1.593	63	109.8783	1.772	77	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	110.1010	0.761	4	110.1010	0.580	4	110.1010	0.580	4	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	109.4580	0.114	4	109.4580	0.013	4	109.4580	0.013	4	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.7925	0.387	2	110.7925	0.150	2	110.7925	0.150	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.8075	2.606	2	110.8075	6.790	2	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	109.7445	0.892	2	109.7445	0.795	2	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.4624	0.563	8	110.4624	0.316	8	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.5299	0.355	8	110.5299	0.126	8	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.8974	1.660	8	110.8974	2.756	8	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.9398	0.593	38	110.9398	0.352	38	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.1619	0.725	16	111.1619	0.525	16	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.0339	0.734	40	110.0339	0.539	40	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0228	1.560	14	111.0228	2.435	14	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.4150	0.540	8	111.4150	0.292	8	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.2967	0.809	21	111.2967	0.654	21	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0980	0.913	8	111.0980	0.833	8	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.9963	0.997	215	110.9963	0.995	215	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0467	0.660	18	111.0467	0.435	18	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0753	0.794	12	111.0753	0.630	12	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.1591	0.953	10	111.1440	0.951	16	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|H<1>,3|C<3>}	111.1188	1.103	6	111.1440	0.951	16	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.6940	0.552	12	110.6940	0.305	12	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.6701	0.701	29	110.6701	0.492	29	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0084	0.393	5	110.9156	0.635	29	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.8963	0.863	24	110.9156	0.635	29	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	110.0735	0.676	4	110.0735	0.457	4	110.8906	0.894	508	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	108.7725	0.152	2	108.7725	0.023	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	109.9230	0.000	1	109.9230	0.000	1	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	110.5160	0.000	1	110.5160	0.000	1	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	109.9168	0.452	4	109.9168	0.205	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	111.9592	0.583	4	111.9592	0.340	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	109.8980	0.360	4	109.8980	0.130	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	111.4310	0.667	4	111.3766	2.338	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	111.3494	1.865	8	111.3766	2.338	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.0050	0.694	8	109.9957	0.555	24	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	110.1224	0.643	8	109.9957	0.555	24	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	109.8597	0.943	8	109.9957	0.555	24	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	110.6445	0.129	2	110.6445	0.017	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	111.4480	1.470	4	111.4480	2.162	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	109.6585	0.524	4	109.6585	0.275	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	110.1975	0.464	12	110.1975	0.216	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	111.6562	1.066	8	111.6562	1.137	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5,6]O)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	113.1185	0.093	2	113.1185	0.009	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	111.0165	0.029	2	111.0165	0.001	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	110.6270	1.010	2	110.6270	1.020	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	110.4585	1.249	4	110.4585	1.560	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	111.6420	0.748	4	111.5948	0.682	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	111.3360	1.227	4	111.5948	0.682	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	111.8065	0.532	4	111.5948	0.682	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	111.7103	0.980	43	111.7103	0.959	43	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	111.3837	0.799	4	111.3837	0.639	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	110.2285	0.730	40	110.2285	0.533	40	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	111.7446	1.091	215	111.7446	1.191	215	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	111.3698	0.677	28	111.3698	0.459	28	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	111.2859	1.033	20	111.2859	1.066	20	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	110.0863	0.713	21	110.0863	0.508	21	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	109.3518	0.677	10	109.7294	1.804	60	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	109.6977	0.518	30	109.7294	1.804	60	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Pt<6>,1|C<4>}	109.8607	0.751	8	109.7294	1.804	60	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|Rh<6>,1|C<4>}	110.0356	2.827	12	109.7294	1.804	60	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	109.8465	0.883	16	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	109.8741	0.744	48	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	109.5325	0.441	2	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	109.3250	0.891	2	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<6>,1|C<4>}	110.3745	0.670	4	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ir<8>,1|C<4>}	111.0190	0.734	2	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Pd<4>,1|C<4>}	110.4880	0.486	2	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|Ru<6>,1|C<3>}	110.9995	0.890	2	109.9452	0.636	78	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	110.1846	0.645	8	110.3343	0.448	10	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	110.9330	0.471	2	110.3343	0.448	10	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	110.0284	1.171	14	110.0284	1.371	14	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	110.1303	0.446	6	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	109.8779	0.694	8	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	111.3180	0.871	6	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	110.1747	0.538	10	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	110.0840	0.907	2	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	110.1488	0.642	4	110.2840	0.599	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	110.5915	0.395	2	110.5915	0.156	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	111.4267	0.577	4	111.7709	0.800	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	111.9430	1.007	8	111.7709	0.800	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	110.8140	1.691	2	111.0940	0.519	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	111.1350	0.315	4	111.0940	0.519	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	111.2920	0.482	2	111.0940	0.519	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	110.6850	0.614	2	110.6850	0.377	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	111.5090	0.631	2	111.6197	0.640	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	111.7305	1.214	2	111.6197	0.640	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	111.8505	0.332	2	110.5465	2.570	10	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	110.2205	1.638	8	110.5465	2.570	10	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	111.6680	0.925	2	111.6680	0.855	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.0817	0.513	4	110.0817	0.263	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	110.1065	0.423	4	110.1065	0.179	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	109.7995	0.561	4	110.4600	1.374	6	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	111.7810	0.830	2	110.4600	1.374	6	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	112.2825	0.530	2	112.2825	0.281	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	110.5150	0.000	1	110.5150	0.000	1	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	110.8339	1.349	16	110.8339	1.820	16	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]Pd)(CCCH){1|C<4>,3|C<3>}	112.0127	0.775	6	112.0127	0.601	6	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]Rh)(CCCH){3|C<3>}	110.4580	0.113	2	110.4580	0.013	2	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	110.1035	0.515	8	110.1035	0.265	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	112.2498	3.187	4	112.2498	10.160	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.0775	1.092	8	112.0775	1.192	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	111.1103	1.232	4	111.1103	1.518	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	111.1850	1.043	4	111.3702	0.648	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	111.5555	0.577	4	111.3702	0.648	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	111.8450	0.749	8	111.8450	0.560	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	111.9336	0.769	46	111.9336	0.591	46	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.0846	0.410	7	110.0846	0.168	7	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.2125	0.947	4	110.2125	0.896	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	112.8388	1.433	4	112.8388	2.053	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.1140	0.654	4	110.1140	0.427	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH){2|C<4>}	112.1114	0.914	77	112.1114	0.835	77	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.4161	0.676	107	110.4161	0.457	107	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.3735	0.359	4	110.3735	0.129	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH){2|C<4>}	110.9243	1.078	4	110.9243	1.161	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.8227	0.971	4	110.3252	0.367	35	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.2610	0.533	31	110.3252	0.367	35	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){1|B<4>,1|H<1>}	112.2972	0.609	6	112.1328	0.851	223	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	112.1283	0.930	217	112.1328	0.851	223	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.8295	0.721	4	110.2685	0.399	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.3233	0.610	32	110.2685	0.399	36	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	111.6035	0.765	32	111.6035	0.586	32	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	111.6711	1.057	51	111.6711	1.118	51	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	111.1876	2.289	10	111.1876	5.241	10	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	109.6650	1.687	2	110.1246	1.384	26	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.1877	1.362	10	110.1246	1.384	26	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.1452	1.060	14	110.1246	1.384	26	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH){2|C<4>}	112.2233	1.382	8	112.2233	1.910	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH){2|C<4>}	111.6912	0.734	8	111.6912	0.538	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH){2|C<4>}	112.2498	1.379	6	112.2498	1.901	6	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.5288	0.442	6	110.5288	0.195	6	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	112.1598	1.103	126	112.1598	1.217	126	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.1805	0.898	6	110.5496	0.451	214	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.5603	0.664	208	110.5496	0.451	214	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	111.5209	0.732	12	111.5209	0.536	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH){2|C<4>}	111.4939	1.955	8	111.4939	3.821	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	109.8642	0.897	4	110.2133	0.637	54	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.1063	0.889	20	110.2133	0.637	54	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.3311	0.724	30	110.2133	0.637	54	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH){2|C<4>}	112.1437	0.818	8	112.1437	0.669	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	111.3293	1.545	3	110.4657	0.743	44	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.4025	0.787	41	110.4657	0.743	44	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH){2|C<4>}	112.0138	0.851	32	112.0138	0.724	32	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	112.0793	1.046	28	112.0793	1.094	28	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	109.8780	0.871	2	110.4811	0.951	28	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.6674	1.594	8	110.4811	0.951	28	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.4654	0.600	18	110.4811	0.951	28	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	112.6340	0.013	2	112.1914	0.631	35	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	112.1645	0.811	33	112.1914	0.631	35	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.7808	1.758	10	110.1707	1.429	24	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.4492	0.433	14	110.1707	1.429	24	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	111.0871	0.881	8	111.0871	0.777	8	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.1492	0.231	4	109.7557	1.458	30	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	109.6952	1.287	26	109.7557	1.458	30	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	111.6649	0.936	59	111.6649	0.876	59	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH){2|C<4>}	111.8537	0.664	4	111.8537	0.441	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH){2|C<4>}	111.6099	0.892	11	111.6099	0.795	11	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH){2|C<4>}	112.4793	1.155	4	112.4793	1.334	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.0627	1.455	4	112.0627	2.116	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	112.0925	1.211	4	112.0925	1.466	4	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	111.2182	0.707	4	111.6988	0.959	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	112.1857	0.936	4	111.6988	0.959	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	111.6925	1.230	4	111.6988	0.959	12	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	112.0323	1.169	3	111.7135	0.526	11	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.5613	0.253	4	111.7135	0.526	11	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	111.6268	0.798	4	111.7135	0.526	11	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	109.9150	0.000	1	109.9150	0.000	1	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	109.9860	0.000	1	109.9860	0.000	1	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	110.2842	1.017	5	110.2842	1.034	5	111.1616	1.578	2259	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	109.6065	0.074	2	109.6065	0.006	2	109.6065	0.006	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](N[5]C[6a]C[5])(C[5]S[5]C)(CCCH){1|N<2>,2|C<3>}	110.6240	1.382	2	110.6240	1.909	2	110.6240	1.909	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|C<3>,6|B<6>}	110.8715	0.542	2	110.8715	0.294	2	110.8715	0.294	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-3:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH){2|N<3>,6|B<6>}	111.1845	0.753	2	111.1845	0.567	2	111.1845	0.567	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:O-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(H)2(O)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(H)2(O)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH){1|C<3>,1|H<1>}	112.7490	0.000	1	112.7490	0.000	1	111.9085	1.413	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH){2|H<1>}	111.0680	0.000	1	111.0680	0.000	1	111.9085	1.413	2	111.1063	1.462	2788	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	112.1695	0.400	4	112.1695	0.160	4	112.1695	0.160	4	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.0185	1.597	2	110.0185	2.552	2	110.4270	1.776	3	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(H)3	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>}	111.2440	0.000	1	111.2440	0.000	1	110.4270	1.776	3	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	111.0330	1.547	2	111.0330	2.394	2	111.0330	2.394	2	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	114.0530	0.124	2	114.0530	0.015	2	111.8855	1.467	10	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	111.4405	0.231	6	111.4405	0.053	6	111.8855	1.467	10	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.0530	0.976	2	111.0530	0.952	2	111.8855	1.467	10	111.6253	1.472	19	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-4:N[5]-2:C-4:	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH)	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]O[5]CO)(N[5]C[5])(CCCH){1|C<4>}	111.5290	0.263	2	111.5290	0.069	2	111.5290	0.069	2	111.5290	0.069	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH){6|C<3>}	111.8270	1.680	2	111.8270	2.823	2	111.2430	1.990	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH)	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]2C[5])(C[5]N[5]H)(CCCH){1|C<4>,1|O<1>,4|C<3>}	110.6590	1.335	2	110.6590	1.782	2	111.2430	1.990	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	110.4180	0.877	2	110.4180	0.769	2	111.3040	1.316	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.1900	0.198	2	112.1900	0.039	2	111.3040	1.316	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH)	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	113.8485	0.450	2	113.8485	0.203	2	113.8485	0.203	2	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	110.9600	0.000	1	110.9600	0.000	1	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH){1|Fe<10>,2|C<4>}	111.4710	0.498	2	111.4710	0.248	2	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	110.6130	0.602	2	110.6130	0.363	2	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	112.6445	1.651	6	112.6445	2.727	6	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){2|C<4>,2|H<1>}	109.7105	0.168	2	109.7105	0.028	2	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	111.3383	0.783	4	111.3383	0.613	4	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	110.6036	0.542	10	110.6036	0.294	10	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH){1|C<4>,2|H<1>}	111.2525	0.619	2	111.2525	0.383	2	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH){1|C<3>,1|H<1>}	111.3388	1.344	6	111.3388	1.806	6	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	110.7660	0.931	2	110.7660	0.866	2	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	110.6635	1.226	12	110.6635	1.502	12	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	111.2357	1.359	4	111.2357	1.847	4	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH){1|C<4>,1|O<1>}	110.0572	0.313	4	110.0572	0.098	4	111.0002	1.425	57	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH)	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>}	109.9340	0.551	7	109.9340	0.304	7	109.9340	0.304	7	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-3:C-4:	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH)	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.6805	0.028	2	110.6805	0.001	2	110.6805	0.001	2	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]C[5x3,6x5,20x6]C[5]B)(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.9820	1.025	2	110.9820	1.051	2	112.0433	2.560	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[5]C[5x3,6x5,20x6]SiH)(C[5]C[5x3,6x5,20x6]N)(CCCH){6|B<6>}	113.1045	1.457	2	113.1045	2.124	2	112.0433	2.560	4	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	111.1152	1.813	82	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	113.0858	1.583	4	113.0858	2.507	4	113.0858	2.507	4	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	110.1420	0.000	1	110.1420	0.000	1	113.8407	12.610	3	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	115.6900	2.168	2	115.6900	4.700	2	113.8407	12.610	3	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	110.9310	1.041	2	110.9310	1.083	2	110.9310	1.083	2	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.8860	1.581	2	111.8860	2.500	2	111.7553	0.993	4	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	111.6245	0.640	2	111.6245	0.410	2	111.7553	0.993	4	112.5191	4.225	13	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	5:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[3,5]-5:C[5]-3:C-4:	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](Si[3,5]C[5x3,6x5,20x6]C[3]2C[5])(C[5]C[5x3,6x5,20x6]N)(CCCH)	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	113.5055	0.076	2	113.5055	0.006	2	113.5055	0.006	2	113.5055	0.006	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5]O)2(CCCH){4|H<1>}	110.6285	0.050	2	110.6285	0.003	2	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.3610	0.000	1	112.3610	0.000	1	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	109.8960	0.000	1	109.8960	0.000	1	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	108.5390	0.000	1	108.5390	0.000	1	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.7470	0.000	1	109.7470	0.000	1	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.3580	1.363	7	110.3580	1.363	7	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	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>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	111.2543	0.617	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC)(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	112.1610	0.000	1	112.1610	0.000	1	111.4760	0.938	2	111.2543	0.617	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:2:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	S[5]-4:C[5]-3:C-4:	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	110.7910	0.000	1	110.7910	0.000	1	111.4760	0.938	2	111.2543	0.617	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:3:2:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(COO)(OSi)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(COO)(OSi)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:3:4:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	108.6700	0.400	2	108.6700	0.160	2	108.6700	0.160	2	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	110.0100	0.000	1	110.0100	0.000	1	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]O)2(CCCH){4|H<1>}	111.9170	0.789	2	111.9170	0.623	2	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.2760	0.461	2	111.2760	0.213	2	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	109.6790	1.348	2	109.6790	1.816	2	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.0663	0.772	12	110.0663	0.596	12	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.4222	0.191	4	110.4222	0.037	4	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.5651	1.397	15	110.5651	1.952	15	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	108.7867	1.662	4	108.7867	2.764	4	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	109.4519	1.613	12	109.4519	2.601	12	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	110.2428	0.337	4	110.0635	1.531	11	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	109.9610	1.569	7	110.0635	1.531	11	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.8167	1.373	4	111.8167	1.885	4	110.1920	1.927	69	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	110.2098	2.112	73	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	110.9540	0.000	1	110.9540	0.000	1	111.8513	4.465	3	111.8513	4.465	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH){1|C<3>,2|H<1>}	112.3000	2.779	2	112.3000	7.722	2	111.8513	4.465	3	111.8513	4.465	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:2:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:1:	2:2:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	N[5]-2:O[5]-2:C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CHHO)(CH3)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CHHO)(CH3)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	111.6440	0.000	1	111.6440	0.000	1	110.3588	7.499	4	110.3588	7.499	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	112.1400	0.000	1	112.1400	0.000	1	110.3588	7.499	4	110.3588	7.499	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	N[5](C[5]N[5]Ir)(C[5]N[5]H)(CCCH){1|C<4>}	108.8255	3.601	2	108.8255	12.969	2	110.3588	7.499	4	110.3588	7.499	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:4:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	N[5](C[5]N[5]C)(C[5]N[5]H)(CCCH){1|C<3>}	110.9300	0.383	2	110.9300	0.147	2	110.9300	0.147	2	110.9300	0.147	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:1:	4:4:4:4:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	P[5]-4:C[5]-3:C-4:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:2:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C(CN[5]CO)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO)	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C(CN[5]CO)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO){2|C<3>,2|H<1>}	109.6420	0.284	2	109.6420	0.081	2	109.6420	0.081	2	109.3537	0.135	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:2:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)2(OMo)	C(CN[5]CO)(H)3	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO)	C(N[5]C[5]N[5])(CH3)2(OMo)	C(CN[5]CO)(H)3	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO){2|H<1>}	109.2095	0.339	4	109.2095	0.115	4	109.2095	0.115	4	109.3537	0.135	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:3:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	N[5](C[5]C[5,6a]O)2(CC3)	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	N[5](C[5]C[5,6a]O)2(CC3){2|C<3>}	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:3:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	108.5307	0.738	4	108.5307	0.545	4	108.5307	0.545	4	108.5307	0.545	4	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:3:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]O)2(CC3)	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]O)2(CC3){2|C<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-2:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5])(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5])(N[5]C[5])(CC3){2|C<3>}	108.3803	0.438	3	108.3803	0.192	3	108.3803	0.192	3	107.4797	0.766	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<4>,1|C<3>}	107.3910	0.935	12	107.3671	0.730	24	107.3671	0.730	24	107.4797	0.766	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<5>,1|C<3>}	106.9247	0.428	3	107.3671	0.730	24	107.3671	0.730	24	107.4797	0.766	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Cu<6>,1|C<3>}	107.5207	0.983	6	107.3671	0.730	24	107.3671	0.730	24	107.4797	0.766	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	2:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3)	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](N[5]C[5])(N[5]N[5])(CC3){1|Re<6>,1|C<3>}	107.4070	0.788	3	107.3671	0.730	24	107.3671	0.730	24	107.4797	0.766	27	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:Ge[5]-2:C-4:	C(N[5]C[5,6a]Ge[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C(N[5]C[5,6a]Ge[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	109.8633	1.204	23	109.8633	1.449	23	109.8633	1.449	23	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C-4:	C(N[5]C[5,6a]Se[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	C(N[5]C[5,6a]Se[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	107.7963	1.045	3	107.7963	1.092	3	107.7963	1.092	3	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	108.9480	0.938	18	108.9087	0.804	21	108.8488	0.622	30	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|Si<4>,1|C<4>}	108.6727	0.675	3	108.9087	0.804	21	108.8488	0.622	30	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5])(CC3){1|C<4>,1|O<1>}	108.5950	0.529	6	108.5950	0.280	6	108.8488	0.622	30	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Si)(C[5]N[5])(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Si)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	108.9370	0.205	3	108.9370	0.042	3	108.8488	0.622	30	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Ge[5]-2:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3){1|C<3>,1|C<4>}	109.7470	2.585	6	109.7470	6.684	6	109.7470	6.684	6	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	108.6637	0.878	3	108.6637	0.771	3	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]N[5])(N[5]N[5])(CC3){2|Re<6>,2|C<3>}	108.1840	0.576	3	108.1840	0.332	3	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]H)(N[5]C[5])(CC3){2|C<3>}	107.5773	0.572	6	107.5773	0.328	6	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]H)(N[5]N[5])(CC3){2|Cu<6>}	107.1543	0.523	3	107.1543	0.274	3	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(N[5]C[5])(CC3){2|C<3>}	108.3652	1.562	15	108.3652	2.440	15	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(N[5]C[5])(CC3){2|C<3>}	108.6711	1.527	9	108.6711	2.331	9	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]S)(N[5]N[5])(CC3)	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]S)(N[5]N[5])(CC3){1|B<4>}	108.1007	0.797	6	108.1007	0.635	6	108.2132	1.570	45	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C(N[5]Se[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	C(N[5]Se[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	107.7152	1.497	36	107.7152	2.242	36	107.8135	2.320	38	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	109.5825	0.889	2	109.5825	0.790	2	107.8135	2.320	38	108.5565	2.214	145	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4,5]-3:C[5]-3:C-4:	C(N[5]C[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3)	C(N[5]C[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3){1|In<5>,1|H<1>}	108.6843	2.295	6	108.6843	5.266	6	108.6843	5.266	6	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	108.9317	0.475	3	108.5794	0.368	12	108.5794	0.368	12	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	108.4620	0.622	9	108.5794	0.368	12	108.5794	0.368	12	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	108.9998	2.384	6	108.8694	3.873	9	108.8694	3.873	9	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|N<3>}	108.6087	1.063	3	108.8694	3.873	9	108.8694	3.873	9	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.7233	0.986	6	109.7233	0.972	6	109.6412	1.470	15	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	110.0043	1.647	3	109.8860	1.867	6	109.6412	1.470	15	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	109.7677	1.382	3	109.8860	1.867	6	109.6412	1.470	15	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	108.9873	1.534	3	108.9873	2.353	3	109.6412	1.470	15	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	109.2045	1.302	2	109.2045	1.695	2	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	108.8368	1.627	6	108.8368	2.647	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[3,5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[3,5]O)2(CC3){1|C<4>,2|H<1>}	109.4323	1.385	6	109.4323	1.917	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3){2|C<4>}	109.1237	1.133	3	109.1237	1.284	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3){1|B<4>,1|C<4>}	108.1547	1.024	3	108.1547	1.049	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)2(CC3){1|C<4>,1|H<1>,2|C<3>}	109.2057	1.208	3	109.3500	2.205	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)2(CC3){2|C<4>,2|H<1>}	109.4943	1.997	3	109.3500	2.205	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Al)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.6727	0.967	3	108.6727	0.934	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.0275	2.016	6	109.0275	4.065	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	109.6610	2.759	6	109.6610	7.613	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	109.7490	2.277	29	109.7490	5.184	29	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	109.4503	1.635	6	109.4503	2.673	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Fe)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.3773	0.859	3	108.3773	0.737	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	109.1484	1.355	18	109.1484	1.836	18	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<3>,1|H<1>}	108.4654	1.681	5	109.0390	4.572	41	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	109.1186	2.202	36	109.0390	4.572	41	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Al<4>,1|C<4>}	108.5173	0.424	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|C<4>}	108.2002	0.865	6	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	108.2482	0.841	20	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	107.8434	0.984	9	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	107.9797	0.897	121	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	108.1253	0.824	6	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	108.1953	0.553	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Co<4>,1|H<1>}	108.4522	0.631	12	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|C<4>}	108.4887	1.481	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|H<1>}	108.7023	0.224	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|In<4>,1|C<4>}	108.5627	0.199	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Os<4>,1|C<4>}	108.2517	0.943	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<3>}	108.3135	0.708	6	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	108.1720	0.668	6	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<2>,1|C<4>}	108.3133	2.853	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Pt<4>,1|C<4>}	108.2917	1.081	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Ru<6>,1|C<3>}	107.8304	1.233	12	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Si<3>,1|C<4>}	108.7797	0.642	6	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Sr<7>,1|H<1>}	108.5793	0.682	3	108.1114	0.833	231	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3){1|H<1>,1|N<2>}	108.7233	0.775	3	108.7233	0.601	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	109.2259	1.384	249	109.2259	1.916	249	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	109.0299	0.573	26	109.0299	0.329	26	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	109.0099	0.813	565	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	108.9126	0.772	18	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	109.6120	0.566	3	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	108.7486	0.548	5	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Cu<3>,1|H<1>}	108.9420	1.073	6	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Zn<4>,1|H<1>}	109.1422	0.657	6	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	108.6828	0.739	36	108.9901	0.654	639	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.6303	1.413	3	108.6303	1.997	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>}	109.9327	0.860	3	109.7639	0.911	9	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	109.6795	1.066	6	109.7639	0.911	9	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.4049	1.166	9	109.2959	1.381	15	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<3>}	109.2203	1.681	3	109.2959	1.381	15	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	109.0447	1.117	3	109.2959	1.381	15	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3){1|C<3>,2|H<1>}	109.3343	1.606	6	109.1968	2.078	12	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3){1|N<3>,2|C<3>}	108.9353	1.802	3	109.1968	2.078	12	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]O)2(CC3){2|C<3>}	109.1830	1.255	3	109.1968	2.078	12	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Os)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.2747	2.310	3	109.2747	5.336	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	108.9702	1.465	6	108.9702	2.146	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|P<3>}	108.6013	0.820	3	108.6013	0.673	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]Pt)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	109.0148	2.086	6	109.0148	4.350	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	109.0438	2.256	12	109.0438	5.088	12	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	109.9312	3.354	6	109.9312	11.252	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3){2|C<3>}	108.7802	1.266	6	108.7802	1.604	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.9824	0.714	15	108.9824	0.510	15	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	108.9331	0.706	9	108.9331	0.498	9	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3){2|C<4>}	109.6794	0.917	18	109.6794	0.841	18	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.1898	1.125	33	109.1898	1.266	33	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3){1|H<1>,1|P<3>}	109.1910	1.724	3	109.1910	2.972	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	109.1054	0.797	12	109.0167	0.502	36	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.9723	0.673	24	109.0167	0.502	36	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	109.1313	0.850	87	109.0878	0.973	128	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	108.9605	1.225	23	109.0878	0.973	128	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.0402	1.277	18	109.0878	0.973	128	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.5837	1.028	9	108.5837	1.056	9	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	109.1428	1.133	6	109.1937	1.980	36	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.2038	1.472	30	109.1937	1.980	36	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	108.7746	0.807	8	109.1393	1.773	32	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.2609	1.460	24	109.1393	1.773	32	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	108.7772	0.703	6	109.1114	2.439	95	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.1339	1.603	89	109.1114	2.439	95	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.3888	1.328	24	109.3888	1.764	24	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	109.1396	0.662	15	109.0449	1.397	66	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	108.9847	0.877	3	109.0449	1.397	66	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.0191	1.329	48	109.0449	1.397	66	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	108.5709	1.395	52	108.6591	2.029	58	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.4232	1.582	6	108.6591	2.029	58	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	109.0370	0.692	3	109.0370	0.479	3	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	109.6045	1.655	6	109.6045	2.740	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	109.1848	0.923	9	109.1848	0.852	9	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	109.3612	0.354	6	109.3612	0.125	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CIrHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.4900	2.028	10	109.4900	4.112	10	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	107.3615	0.739	2	107.3615	0.546	2	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRhHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRhHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.5543	1.040	6	108.5543	1.081	6	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.2202	1.294	4	108.2202	1.676	4	108.9684	1.496	1975	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	109.5960	2.135	6	109.5960	4.558	6	109.5960	4.558	6	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se[5]-3:C[5]-3:C-4:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3){2|C<3>}	109.3295	0.607	2	109.3295	0.369	2	109.3295	0.369	2	108.9721	1.516	2025	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	110.5802	1.847	6	110.5802	3.413	6	110.4173	2.548	12	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	110.2413	1.875	3	110.2413	3.517	3	110.4173	2.548	12	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	110.2677	1.344	3	110.2677	1.807	3	110.4173	2.548	12	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.8920	1.633	3	109.8920	2.666	3	109.8920	2.666	3	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3){2|C<3>,2|H<1>}	108.9543	0.476	3	108.9543	0.227	3	108.9543	0.227	3	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Ga[5]-4:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3){1|C<4>,1|H<1>,3|N<3>}	109.6933	1.549	3	109.6933	2.400	3	109.6933	2.400	3	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:Si[5]-4:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	110.3102	2.290	6	110.3102	5.246	6	110.3102	5.246	6	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	109.7770	0.765	3	109.7770	0.586	3	109.7770	0.586	3	110.0606	2.494	30	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3){2|C<3>,2|H<1>,4|C<4>}	109.7050	1.185	3	109.7050	1.405	3	109.3198	1.794	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3){4|C<3>}	108.9347	1.624	3	108.9347	2.636	3	109.3198	1.794	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C(N[5]C[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C(N[5]C[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	109.7400	2.859	12	109.7400	8.177	12	109.7400	8.177	12	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3){6|C<3>}	109.3087	1.244	6	109.3087	1.548	6	109.6208	3.985	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.0920	1.670	6	110.0920	2.789	6	109.6208	3.985	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.4618	2.966	6	109.4618	8.798	6	109.6208	3.985	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	108.9110	1.161	3	108.9110	1.349	3	109.3026	1.212	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	108.8023	0.825	3	108.8023	0.681	3	109.3026	1.212	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>,4|H<1>}	109.3893	0.774	3	109.3893	0.599	3	109.3026	1.212	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3)	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>}	109.5709	1.297	9	109.5709	1.683	9	109.3026	1.212	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	110.7100	1.041	9	110.7100	1.083	9	110.4748	1.172	15	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	110.1220	1.140	6	110.1220	1.300	6	110.4748	1.172	15	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.4600	0.321	3	109.4600	0.103	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3){1|B<4>,1|C<3>,1|H<1>}	108.4128	1.212	6	108.4128	1.468	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	109.3290	1.627	6	109.3290	2.647	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3){3|C<3>}	109.2997	0.469	6	109.2997	0.220	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3){2|C<3>}	109.6310	1.243	6	109.6310	1.546	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	109.1548	0.895	6	109.1548	0.802	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3){2|C<4>,2|H<1>}	109.0500	2.972	3	109.0500	8.832	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.4818	0.877	18	109.4694	0.814	39	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,2|H<1>}	109.5468	0.905	6	109.4694	0.814	39	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	109.4236	0.989	15	109.4694	0.814	39	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.1763	1.213	3	108.1763	1.472	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>,2|H<1>}	109.3640	0.719	3	109.2075	0.494	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|O<1>}	109.0510	0.803	3	109.2075	0.494	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	109.8182	1.913	6	109.8182	3.658	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	108.4117	0.811	18	108.4117	0.657	18	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	109.4850	1.400	3	109.4850	1.960	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	109.6030	1.842	3	109.6030	3.394	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.2672	0.669	6	109.2349	0.560	9	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){3|H<1>}	109.1703	1.053	3	109.2349	0.560	9	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	109.5380	0.486	6	109.3239	0.988	18	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){3|C<3>,3|H<1>}	109.2169	1.176	12	109.3239	0.988	18	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	109.1807	0.758	3	109.1807	0.574	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	109.3232	1.887	12	109.3232	3.560	12	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	109.3157	3.235	6	109.3157	10.466	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3){1|H<1>,2|C<4>}	108.9950	0.527	3	108.9950	0.277	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	108.9914	1.627	12	108.9914	2.646	12	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3){1|C<4>}	108.8930	0.364	3	108.8930	0.133	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3){1|H<1>}	108.8323	0.439	3	108.8323	0.192	3	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	109.9865	1.006	6	109.9865	1.013	6	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3)	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3){1|C<3>,2|H<1>}	109.2555	0.173	2	109.2555	0.030	2	109.2142	1.622	191	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3){1|C<4>,2|H<1>}	110.2792	1.169	6	110.2792	1.367	6	110.2792	1.367	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4,5,5]-4:C[5]-3:C-4:	C(N[5]Ga[4,5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Ga[4,5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	109.7435	1.960	42	109.7435	3.842	42	109.7435	3.842	42	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.6090	0.640	6	109.6090	0.409	6	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|N<3>}	109.0118	1.051	6	109.0118	1.105	6	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.2167	1.581	6	109.2167	2.500	6	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.1295	2.668	6	108.1295	7.118	6	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>}	109.5200	1.968	3	109.5200	3.872	3	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-3:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.2725	1.439	6	109.2725	2.070	6	109.0908	2.556	33	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	109.9467	1.809	12	109.9467	3.272	12	109.7594	3.243	54	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	109.9485	1.577	12	109.9485	2.487	12	109.7594	3.243	54	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	109.2245	1.984	6	109.2245	3.937	6	109.7594	3.243	54	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	109.6303	2.025	12	109.6303	4.099	12	109.7594	3.243	54	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3)	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	109.7795	1.930	12	109.7795	3.727	12	109.7594	3.243	54	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,5]-4:C[5]-3:C-4:	C(N[5]P[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3)	C(N[5]P[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>,1|O<2>,1|P<3>,2|C<4>}	109.4340	0.963	3	109.4340	0.928	3	109.4340	0.928	3	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.2333	1.229	18	109.2333	1.511	18	109.2333	1.511	18	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3x5]-4:C[5]-3:C-4:	C(N[5]Si[3x5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[3x5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,2|C<4>,2|P<2>}	110.0635	0.800	6	110.0635	0.639	6	110.0635	0.639	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C[5]-3:C-4:	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3){1|Si<4>,2|Zn<3>,1|C<4>,1|H<1>}	109.8928	0.610	6	109.8928	0.372	6	109.8280	0.267	9	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:C[5]-3:C-4:	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	109.6983	0.314	3	109.6983	0.098	3	109.8280	0.267	9	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-3:C-4:	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|B<3>,2|N<2>}	109.1856	1.075	5	109.1856	1.155	5	109.1856	1.155	5	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:As[5]-3:C-4:	C(N[5]As[5]Si[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3)	C(N[5]As[5]Si[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5,5]CC)(As[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	109.8943	0.403	6	109.8943	0.163	6	109.8943	0.163	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	109.7423	1.363	6	109.7423	1.859	6	109.4638	0.743	26	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3){1|N<3>,2|C<4>,2|H<1>}	109.2904	0.494	5	109.2904	0.244	5	109.4638	0.743	26	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.4175	0.974	6	109.4175	0.948	6	109.4638	0.743	26	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	109.4268	0.567	6	109.4268	0.321	6	109.4638	0.743	26	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-3:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]O[5]CC)(C[5]P[5]O)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]O[5]CC)(C[5]P[5]O)(CC3){1|C<4>,1|W<6>}	109.3623	0.803	3	109.3623	0.645	3	109.4638	0.743	26	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:P[5]-3:C-4:	C(N[5]Si[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3)	C(N[5]Si[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]C[5,5]CC)(P[5]C[5,5]Cl)(CC3){1|C<4>,2|C<3>}	109.7007	0.876	6	109.7007	0.767	6	109.7007	0.767	6	109.4541	2.204	474	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	109.6152	0.901	6	109.6152	0.811	6	109.6152	0.811	6	110.1427	1.146	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|H<1>,2|C<4>}	109.1653	1.105	3	109.1653	1.221	3	109.1653	1.221	3	110.1427	1.146	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,5]-4:C[5]-4:C-4:	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	110.5552	1.130	6	110.5552	1.277	6	110.5552	1.277	6	110.1427	1.146	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3){2|H<1>,2|N<2>,3|C<4>}	111.3280	0.305	3	111.3280	0.093	3	110.7465	0.461	6	110.1427	1.146	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3)	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3){1|H<1>,2|N<2>,4|C<4>}	110.1650	0.210	3	110.1650	0.044	3	110.7465	0.461	6	110.1427	1.146	21	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	5:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-5:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	109.9460	1.368	3	109.9460	1.871	3	109.9460	1.871	3	109.9460	1.871	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	6:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5,5]-6:C[5]-3:C-4:	C(N[5]Nb[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3)	C(N[5]Nb[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3){1|C<4>,5|C<3>}	109.8903	2.899	6	109.8903	8.403	6	109.8903	8.403	6	109.8903	8.403	6	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:2:1:1:	3:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:Se[5]-2:C-4:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:2:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	Se[5]-3:C[5]-3:C-4:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3)	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3){2|C<3>}	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:2:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(OC)(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(OC)(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	109.9950	0.420	3	109.9950	0.176	3	109.9950	0.176	3	109.9950	0.176	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(CC3)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(CC3)(H)2	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:4:4:4:	4:4:4:2:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:P-4:P-4:O-2:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(PO3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(PO3)2(OH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:5:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CIrH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CIrH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.5392	0.539	4	108.5392	0.290	4	108.5280	0.205	8	108.5280	0.205	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:5:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRhH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRhH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.2785	0.145	2	108.2785	0.021	2	108.5280	0.205	8	108.5280	0.205	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	3:5:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CRuH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C(N[5]C[5]2)(CRuH3)(CH3)2	C(CN[5]CC)(H)3	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	108.7550	0.563	2	108.7550	0.317	2	108.5280	0.205	8	108.5280	0.205	8	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	114.6960	0.000	1	114.6960	0.000	1	113.8285	1.505	2	113.8607	0.756	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	112.9610	0.000	1	112.9610	0.000	1	113.8285	1.505	2	113.8607	0.756	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	113.8607	0.756	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	5:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	113.1290	0.000	1	113.1290	0.000	1	112.4850	0.829	2	112.1497	0.752	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	5:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	111.8410	0.000	1	111.8410	0.000	1	112.4850	0.829	2	112.1497	0.752	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	5:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]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>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	112.1497	0.752	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	6:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	110.3424	3.658	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	6:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5x3,3x5,11x6]-6:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.3424	3.658	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	6:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	108.3100	0.000	1	108.3100	0.000	1	109.6260	3.729	3	110.3424	3.658	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	6:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	111.8430	0.000	1	111.8430	0.000	1	109.6260	3.729	3	110.3424	3.658	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:1:1:	6:4:1:1:	3:3:4:	C-4:N[5]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	108.7250	0.000	1	108.7250	0.000	1	109.6260	3.729	3	110.3424	3.658	5	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:3:1:	3:3:4:1:	3:3:4:	C-4:N[5]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	N[5](C[5]C[5,6a]O)2(CCCH)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	113.7667	2.886	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:3:1:	3:3:4:1:	3:3:4:	C-4:N[5]-3:N[5]-3:H-1:	C[6,6]-3:C[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-4:	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	114.5995	1.269	2	114.5995	1.611	2	114.5995	1.611	2	113.7667	2.886	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:3:1:	4:3:3:1:	3:3:4:	C-4:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	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)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	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>}	109.2755	0.779	2	109.2755	0.606	2	109.2755	0.606	2	109.2755	0.606	2	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C(CC[5]N[5]H)(NOO)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C(CC[5]N[5]H)(NOO)(H)2	N[5](C[5]C[5,6a]O)2(CC[5]CH){2|C<3>}	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	109.8580	0.000	1	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP2_SP3	C	C	N[5]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C(CC[6]N[5]H)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C(CC[6]N[5]H)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	109.8113	0.526	3	109.8113	0.277	3	109.8113	0.277	3	109.8113	0.277	3	111.1162	4.750	10160	111.1162	4.750	10160
490	490	542	0:SP3_SP3_SP3	C	C	N[5,5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	109.7200	1.606	3	109.7200	2.578	3	109.7200	2.578	3	109.7200	2.578	3	109.9631	4.611	9	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5,5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5,5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,3x6]H)(Ga[5,5,6]N[5,5,6]O[5,6,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	110.1267	2.576	3	110.1267	6.636	3	110.0847	6.293	6	110.0847	6.293	6	109.9631	4.611	9	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5,5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5,5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,5,6,6]-4:Ga[5,5,6]-4:C-4:	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3)	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	N[5,5](N[5,5,6,6]Ga[5,5,6,6]Ga[5,6,6]H)(Ga[5,5,6]N[5,5,6]O[5,6]C)(CC3){1|Ga<4>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	110.0427	3.015	3	110.0427	9.091	3	110.0847	6.293	6	110.0847	6.293	6	109.9631	4.611	9	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5,6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[5,6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C(CN[5,6]C[6a]H)(H)3	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)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C(CN[5,6]C[6a]H)(H)3	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>}	110.4205	0.257	2	110.4205	0.066	2	110.4205	0.066	2	110.4205	0.066	2	110.7013	11.127	4	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5,6]	3:3:4:4:	4:1:1:1:	4:4:4:	N[5,6]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	C(CN[5,6]C[6a]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	C(CN[5,6]C[6a]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC){1|O<2>,6|H<1>}	110.9820	5.745	2	110.9820	33.000	2	110.9820	33.000	2	110.9820	33.000	2	110.7013	11.127	4	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	3:4:3:1:	4:3:4:	C[6]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	109.9410	0.000	1	109.9410	0.000	1	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	114.4450	0.000	1	112.0940	11.054	2	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	109.7430	0.000	1	112.0940	11.054	2	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5,5]HH)2(CC[6a]CH){2|S<2>}	110.6420	0.429	2	110.6420	0.184	2	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	112.0090	0.000	1	112.0090	0.000	1	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5]C[5]HH)2(CC[6a]CH){2|C<3>}	110.2605	0.326	2	110.2605	0.106	2	110.9929	2.461	8	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	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>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	110.7649	2.621	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	108.3260	0.204	2	108.3260	0.041	2	108.3260	0.041	2	107.8084	0.473	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	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>}	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	107.8084	0.473	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:2:1:1:	4:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	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>}	107.8480	0.266	2	107.8480	0.071	2	107.8480	0.071	2	107.8084	0.473	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C[5]-4:N[5]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C(CC[6a]N[5]H)(COO)(F)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C(CC[6a]N[5]H)(COO)(F)2	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:3:3:1:	4:3:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	114.9300	0.000	1	114.9300	0.000	1	114.9300	0.000	1	110.5900	10.674	4	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:3:3:1:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5]H)(CCC)(COO)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5]H)(CCC)(COO)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	109.1433	1.859	3	109.1433	3.454	3	109.1433	3.454	3	110.5900	10.674	4	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:3:4:3:	4:3:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C[6]-3:C-4:C-3:	C[5]-4:N[5]-3:C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:4:1:1:	3:4:4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	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>}	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:4:2:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:1:	4:4:4:4:	4:4:4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:P[5]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH){1|C<4>,2|H<1>}	112.4890	0.136	2	112.4890	0.018	2	112.4890	0.018	2	112.4890	0.018	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:2:	4:1:1:1:	4:4:4:	C[6a]-3:N[5]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C(CC[6a]N[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	C(CC[6a]N[5]O)(F)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	109.4757	0.188	3	109.4757	0.035	3	109.4757	0.035	3	109.4757	0.035	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:3:4:2:	4:3:1:1:	3:4:4:	N[5]-3:C[6a]-3:C-4:C-2:	C-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]N[5]C)(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]N[5]C)(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	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>}	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	111.3260	0.000	1	112.9537	1.285	4	112.9537	1.285	4	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	113.7950	0.000	1	112.9537	1.285	4	112.9537	1.285	4	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]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>}	113.3470	0.434	2	112.9537	1.285	4	112.9537	1.285	4	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]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>}	119.3565	0.284	2	119.3565	0.080	2	119.3565	0.080	2	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	114.1333	0.954	4	114.1333	0.911	4	114.0538	0.568	6	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	113.8950	0.175	2	113.8950	0.031	2	114.0538	0.568	6	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CN[5]HH)(H)2	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)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	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>}	114.4175	0.439	2	114.4175	0.193	2	114.4175	0.193	2	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	3:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.2452	5.710	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	113.8920	0.000	1	113.8920	0.000	1	113.8920	0.000	1	113.1230	1.183	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	113.1230	1.183	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0585	0.037	2	112.0585	0.001	2	112.9710	2.499	3	112.3227	1.553	8	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	114.7960	0.000	1	114.7960	0.000	1	112.9710	2.499	3	112.3227	1.553	8	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.6980	0.000	1	112.4680	0.749	3	112.4680	0.749	3	112.3227	1.553	8	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.8530	0.781	2	112.4680	0.749	3	112.4680	0.749	3	112.3227	1.553	8	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	111.1325	0.463	2	111.1325	0.215	2	111.1325	0.215	2	112.3227	1.553	8	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C(N[5]P[5,6]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(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>}	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	112.0030	0.000	1	112.0030	0.000	1	111.9959	0.086	10	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.9951	0.312	9	111.9951	0.097	9	111.9959	0.086	10	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	111.8130	0.000	1	111.8130	0.000	1	115.3067	9.175	3	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	117.0535	0.202	2	117.0535	0.041	2	115.3067	9.175	3	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH)	C(N[5]C[5]P[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH){1|C<4>,2|H<1>}	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	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>}	115.2398	4.451	5	115.2398	19.809	5	115.2398	19.809	5	113.3555	7.366	21	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(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>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(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>}	112.0785	0.132	2	112.0785	0.017	2	112.2632	0.213	11	112.3845	0.370	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(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>}	112.0272	0.243	4	112.3042	0.253	9	112.2632	0.213	11	112.3845	0.370	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	112.5258	0.569	5	112.3042	0.253	9	112.2632	0.213	11	112.3845	0.370	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	112.3845	0.370	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:2:2:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	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>}	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	112.1375	0.248	2	112.1375	0.062	2	112.1375	0.062	2	113.3850	4.700	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(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>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	113.3850	4.700	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	105.2355	0.134	2	105.2355	0.018	2	105.2355	0.018	2	107.8713	20.852	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	113.1430	0.000	1	113.1430	0.000	1	113.1430	0.000	1	107.8713	20.852	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CC[6]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CC[6]O)(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>}	112.7640	0.267	3	112.7640	0.072	3	112.7640	0.072	3	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	107.3660	0.000	1	107.3660	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH){1|C<3>,1|O<1>}	119.4610	0.000	1	119.4610	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH){1|C<3>,1|O<1>}	118.8020	0.000	1	118.8020	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(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>}	118.0710	0.000	1	118.0710	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	118.7370	0.000	1	118.7370	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	119.0060	0.000	1	119.0060	0.000	1	116.9072	22.051	6	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH){2|C<4>,2|H<1>}	112.4840	0.000	1	112.4840	0.000	1	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	113.0160	0.672	2	113.0160	0.451	2	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(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>}	111.9770	1.126	2	112.1020	0.719	4	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	112.2270	0.909	2	112.1020	0.719	4	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	109.5890	0.000	1	109.5890	0.000	1	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	N[5](C[5]C[5]HH)2(CCHH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	113.3040	0.000	1	113.3040	0.000	1	112.2019	1.512	9	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]P[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<3>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	113.5935	11.569	20	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	108.9920	0.000	1	108.9920	0.000	1	103.8730	143.249	4	106.1368	133.061	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	111.4550	0.000	1	111.4550	0.000	1	103.8730	143.249	4	106.1368	133.061	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	109.0420	0.000	1	109.0420	0.000	1	103.8730	143.249	4	106.1368	133.061	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	86.0030	0.000	1	86.0030	0.000	1	103.8730	143.249	4	106.1368	133.061	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	106.1368	133.061	5	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(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>}	112.1980	0.000	1	112.1980	0.000	1	113.0453	0.540	3	112.9190	0.424	4	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	113.4690	0.054	2	113.4690	0.003	2	113.0453	0.540	3	112.9190	0.424	4	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.9190	0.424	4	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH)	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	121.9560	0.000	1	121.9560	0.000	1	114.4250	42.649	3	114.4250	42.649	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:2:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)	C(N[5]C[5]O[5])(CCHH)(H)2	C(CN[5]HH)(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>}	110.6595	0.473	2	110.6595	0.224	2	114.4250	42.649	3	114.4250	42.649	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	112.9490	20.866	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	N[5,5]-4:C[5]-3:C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	N[5](N[5,5]B[5,5]C[5,5]H)(C[5]N[5]S)(CCHH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]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>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	112.9490	20.866	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	117.6733	0.684	3	117.6733	0.467	3	116.3228	2.670	6	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	114.9723	0.858	3	114.9723	0.736	3	116.3228	2.670	6	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(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>}	116.0510	0.000	1	116.0510	0.000	1	113.7182	1.949	5	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]CH)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]CH)(CN[5]HH)(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>}	113.5270	0.000	1	113.5270	0.000	1	113.7182	1.949	5	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.5910	0.000	1	113.5910	0.000	1	113.7182	1.949	5	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0810	0.000	1	112.7110	0.274	2	113.7182	1.949	5	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(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>}	112.3410	0.000	1	112.7110	0.274	2	113.7182	1.949	5	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	113.1010	0.000	1	113.1010	0.000	1	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.4550	0.000	1	112.4550	0.000	1	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|O<2>,3|H<1>}	113.7670	0.000	1	113.7670	0.000	1	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	113.0610	0.000	1	113.0610	0.000	1	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	112.6800	0.000	1	112.6800	0.000	1	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(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>}	113.8150	0.471	3	113.8150	0.221	3	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(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>}	117.3312	3.039	4	117.3312	9.237	4	114.6528	6.673	12	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH)	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(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>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[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>}	115.8850	0.000	1	116.8640	1.917	2	116.8640	1.917	2	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[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>}	117.8430	0.000	1	116.8640	1.917	2	116.8640	1.917	2	114.8851	5.079	27	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:2:1:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	N[5](C[5]C[5]CH)2(CCHH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	N[5](C[5]C[5]CH)2(CCHH){4|H<1>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	107.9065	14.499	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	4:3:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	Ge[5]-4:C[5]-3:C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	107.9065	14.499	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:1:	5:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	P[3x5]-5:C[5]-4:C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	114.2130	0.263	2	114.2130	0.069	2	114.2130	0.069	2	114.2130	0.069	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	114.2450	0.264	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:2:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.2450	0.264	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	3:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6a]-3:Si[5]-4:C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	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>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:1:1:	4:4:4:4:	4:4:4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[5,6]-4:P[5]-4:C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	115.6680	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[3,5]O)(CCCH){2|C<3>,2|C<4>}	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:3:1:	4:3:1:1:	4:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:3:1:	4:4:1:1:	4:3:4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:3:1:	4:4:3:1:	4:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	113.5167	3.861	3	113.5167	14.908	3	113.5167	14.908	3	113.5167	14.908	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:3:1:	4:4:4:1:	4:4:4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]HH)2(CCCH)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	113.3120	0.632	2	113.3120	0.400	2	113.3120	0.400	2	113.3120	0.400	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	3:4:3:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	N[5](C[5]C[5]HH)2(CCCH)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-3:N[5]-3:C-4:	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH)	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]C[5])(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	112.4479	0.746	12	112.4479	0.557	12	112.4479	0.557	12	112.4959	0.690	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	112.9780	0.000	1	112.9780	0.000	1	112.6400	1.372	4	112.4959	0.690	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	113.9870	0.000	1	113.9870	0.000	1	112.6400	1.372	4	112.4959	0.690	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	111.7975	0.876	2	111.7975	0.768	2	112.6400	1.372	4	112.4959	0.690	16	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.5120	2.165	2	112.5120	4.688	2	112.5120	4.688	2	111.8421	2.258	14	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.4919	1.172	8	111.4919	1.375	8	111.7305	2.148	12	111.8421	2.258	14	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	112.2078	2.052	4	112.2078	4.212	4	111.7305	2.148	12	111.8421	2.258	14	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5]-4:N[5]-3:C-4:	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH)	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](B[5]C[6a]C[5]Cd)(N[5]B[5]C)(CCCH){1|C<4>,3|C<3>}	112.2296	1.452	8	112.2296	2.108	8	112.2296	2.108	8	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.4390	0.400	2	112.4390	0.160	2	112.8295	2.334	8	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	113.9105	2.337	2	113.9105	5.462	2	112.8295	2.334	8	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH){2|C<3>}	111.1625	0.046	2	111.1625	0.002	2	112.8295	2.334	8	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	113.8060	0.778	2	113.8060	0.605	2	112.8295	2.334	8	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-3:C-4:	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	112.0630	3.592	2	112.0630	12.903	2	112.0630	12.903	2	112.4777	2.695	18	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,5]-4:S[5]-4:C-4:	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH)	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH){3|C<3>,3|H<1>}	110.7165	4.351	2	110.7165	18.930	2	110.7165	18.930	2	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.0815	0.656	4	112.0815	0.431	4	112.5857	1.294	16	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	112.7538	1.234	12	112.7538	1.524	12	112.5857	1.294	16	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)2(CCCH)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	110.9140	0.000	1	110.9140	0.000	1	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	112.3635	3.324	2	112.3635	11.050	2	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	114.0405	3.818	2	114.0405	14.575	2	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	110.4297	1.156	4	110.4297	1.337	4	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	109.8765	1.669	2	109.8765	2.787	2	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)2(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	113.1235	0.658	2	113.1235	0.433	2	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	110.5600	1.484	4	110.5600	2.201	4	111.3930	4.542	17	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.6150	1.193	4	111.7613	1.054	6	111.7613	1.054	6	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5,5]-4:C[5]-4:C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	112.0540	0.861	2	111.7613	1.054	6	111.7613	1.054	6	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5,6]-4:C[5]-4:C-4:	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH)	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.8143	1.072	4	111.8143	1.150	4	111.8143	1.150	4	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	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>}	111.5994	0.441	7	111.5994	0.194	7	111.8506	1.707	13	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	112.1437	1.916	6	112.1437	3.671	6	111.8506	1.707	13	111.8273	2.772	59	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:1:1:1:	5:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[3x5]-5:C[5]-4:C-4:	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	111.1492	0.488	6	111.1492	0.238	6	111.1492	0.238	6	111.1492	0.238	6	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:3:2:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCH)(OH)(H)	N[5](C[5]C[5]HH)2(CCCH)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCH)(OH)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	106.5685	0.716	2	106.5685	0.513	2	106.5685	0.513	2	106.5685	0.513	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	108.0570	0.000	1	108.0570	0.000	1	107.5095	0.600	2	107.5095	0.600	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	106.9620	0.000	1	106.9620	0.000	1	107.5095	0.600	2	107.5095	0.600	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	117.3490	0.000	1	117.3490	0.000	1	117.3490	0.000	1	112.8943	15.024	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:4:1:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	110.6670	0.530	2	110.6670	0.281	2	110.6670	0.281	2	112.8943	15.024	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:1:	4:4:3:1:	4:4:4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	N[5](C[5]C[5]HH)2(CCCH)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	115.1375	0.177	2	115.1375	0.032	2	115.1375	0.032	2	115.1375	0.032	2	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	109.3413	2.399	3	109.3413	5.755	3	109.3413	5.755	3	109.1281	2.747	7	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-3:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	108.9682	1.256	4	108.9682	1.579	4	108.9682	1.579	4	109.1281	2.747	7	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	109.9827	0.400	8	109.9827	0.160	8	110.2023	1.302	11	109.9597	1.204	26	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	110.7877	2.289	3	110.7877	5.242	3	110.2023	1.302	11	109.9597	1.204	26	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.8930	1.074	6	109.8930	1.154	6	109.8930	1.154	6	109.9597	1.204	26	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	109.7078	1.121	9	109.7078	1.257	9	109.7078	1.257	9	109.9597	1.204	26	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:	C(N[5]C[5,6]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3)	C(N[5]C[5,6]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3){3|C<3>,3|H<1>}	109.1860	5.532	3	109.1860	30.600	3	109.1860	30.600	3	109.0459	16.207	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3)	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	109.3787	4.625	3	109.3787	21.387	3	108.9992	14.624	9	109.0459	16.207	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){1|S<4>,2|C<3>,3|H<1>}	108.9947	4.020	3	108.8095	14.714	6	108.9992	14.624	9	109.0459	16.207	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:2:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){4|C<3>}	108.6243	4.531	3	108.8095	14.714	6	108.9992	14.624	9	109.0459	16.207	12	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.0727	1.750	3	110.0727	3.062	3	110.0727	3.062	3	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:C-4:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	110.5560	3.099	3	110.5560	9.603	3	110.5560	9.603	3	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	109.2970	1.686	3	109.2970	2.843	3	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3){2|C<4>,2|H<1>,2|N<3>}	111.0233	4.466	3	111.0233	19.947	3	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>}	109.2643	1.027	3	109.1300	0.568	5	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	108.9285	0.165	2	109.1300	0.568	5	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|O<1>,2|H<1>}	110.2247	3.069	3	110.2247	9.420	3	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	108.7427	0.803	3	108.7427	0.645	3	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	109.1948	0.409	6	109.1948	0.167	6	109.5079	3.656	23	109.6748	3.901	29	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3){2|C<4>,2|H<1>,2|N<3>}	111.6116	2.779	5	111.6116	7.724	5	110.8986	6.567	20	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3){2|C<4>,2|H<1>}	111.7550	2.481	3	111.7550	6.155	3	110.8986	6.567	20	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	111.3470	4.299	3	111.3470	18.480	3	110.8986	6.567	20	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3){1|O<1>,4|C<3>}	110.7733	2.013	3	110.7733	4.052	3	110.8986	6.567	20	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	109.7147	2.131	6	109.7147	4.542	6	110.8986	6.567	20	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Ga[5]-4:C-4:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3)	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3){1|H<1>,1|N<3>,3|C<3>}	110.0613	2.361	3	110.0613	5.574	3	110.0613	5.574	3	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	109.3827	0.490	3	109.3827	0.240	3	109.3827	0.240	3	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3){2|C<3>}	109.3583	2.260	3	109.3583	5.107	3	109.4898	4.727	12	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.3383	1.503	3	109.3383	2.259	3	109.4898	4.727	12	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	109.7483	3.454	3	109.7483	11.933	3	109.4898	4.727	12	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3)	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3){1|C<4>,2|C<3>,2|H<1>}	109.5140	2.557	3	109.5140	6.536	3	109.4898	4.727	12	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,5,6]-4:Ga[5,6]-4:C-4:	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	C(CN[5]CC)(H)3	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3)	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	C(CN[5]CC)(H)3	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5,6]O[5,6,6]O[5,6]C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	109.8553	2.984	3	109.8553	8.905	3	109.8553	8.905	3	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,5,6]-4:Ga[5]-4:C-4:	C(N[5]N[5,5,6]Ga[5])(CH3)3	C(CN[5]CC)(H)3	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3)	C(N[5]N[5,5,6]Ga[5])(CH3)3	C(CN[5]CC)(H)3	N[5](N[5,5,6]Ga[5,5,6,6]Ga[5,5,6]H)(Ga[5]O[5,6]2C)(CC3){3|Ga<4>,1|N<3>,1|N<4>,1|O<3>,2|C<4>}	109.9183	3.549	3	109.9183	12.597	3	109.9183	12.597	3	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	109.7033	1.046	6	109.7033	1.093	6	109.6149	0.987	9	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3){1|N<2>,1|P<4>,4|C<3>}	109.4380	1.070	3	109.4380	1.144	3	109.6149	0.987	9	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,5]-4:C[5]-4:C-4:	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	111.4435	0.736	6	111.4435	0.541	6	111.4435	0.541	6	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	4:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[5]-4:C[5]-4:C-4:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3)	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>}	110.0037	1.188	6	110.0037	1.412	6	110.0037	1.412	6	110.2264	4.376	65	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	5:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[5]-5:C[5]-4:C-4:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	110.0497	2.303	3	110.0497	5.305	3	110.0497	5.305	3	110.2090	3.498	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	5:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[3,3,5]-5:C[5]-4:C-4:	C(N[5]Si[3,3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3)	C(N[5]Si[3,3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>,2|N<3>}	110.2887	1.858	6	110.2887	3.452	6	110.2887	3.452	6	110.2090	3.498	9	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	3:4:4:4:	4:1:1:1:	6:4:4:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x3,5]-6:C[5,5,6]-4:C-4:	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	C(CN[5]CC)(H)3	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3)	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	C(CN[5]CC)(H)3	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3){1|C<3>,3|H<1>,5|C<4>}	110.1723	1.532	3	110.1723	2.347	3	110.1723	2.347	3	110.1723	2.347	3	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH)	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH){1|C<4>,2|H<1>}	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	111.5874	9.039	454	111.5486	8.994	467
490	490	542	0:SP3_SP3_SP3	C	C	N[5]	4:3:4:1:	4:4:4:4:	4:4:4:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC[5,5]N[5]H)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC[5,5]N[5]H)(CH3)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	111.5874	9.039	454	111.5486	8.994	467